Manganese(3+) chloride--2,3,5,7,8,10,12,21-octaethylporphyrin (1/3/1)

CAS Number: 28265-17-0

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CCC(/C(/N1)=C(\CC)/C(C(CC)=C2CC)=N/C2=C2/CC)=C/C1=C/C(C=C1)=N/C1=C\c1c(CC)c(CC)c2n1CC.[Cl-].[Cl-].[Cl-].[Mn+3]

Molecule Information

Mutagenic: none Tumorigenic: low Irritant: none

Formula

Mn.Cl.Cl.Cl.C36H46N4

Molecular Weight

534.789

Drug-likeness

3.3356

CAS

28265-17-0

InChI key

ILUFJFALMAPUMG-UHFFFAOYSA-K

SMILES

CCC(/C(/N1)=C(\CC)/C(C(CC)=C2CC)=N/C2=C2/CC)=C/C1=C/C(C=C1)=N/C1=C\c1c(CC)c(CC)c2n1CC.[Cl-].[Cl-].[Cl-].[Mn+3]

ChemrytIQ

CAS Information Snapshot

1 database item

Mutagenic

none

Tumorigenic

low

Handling Watch

Irritant: none | Reproductive effective: high

Molecule Information
Related CAS

Property	Value
CAS Number	28265-17-0
Molecule Name	Manganese(3+) chloride--2,3,5,7,8,10,12,21-octaethylporphyrin (1/3/1)
Molecular Formula	Mn.Cl.Cl.Cl.C36H46N4
SMILES	CCC(/C(/N1)=C(\CC)/C(C(CC)=C2CC)=N/C2=C2/CC)=C/C1=C/C(C=C1)=N/C1=C\c1c(CC)c(CC)c2n1CC.[Cl-].[Cl-].[Cl-].[Mn+3]
InChI	InChI=1S/C36H46N4.3ClH.Mn/c1-9-22-19-25-20-23-17-18-24(37-23)21-32-26(10-2)29(13-5)36(40(32)16-8)31(15-7)35-28(12-4)27(11-3)34(39-35)30(14-6)33(22)38-25;;;;/h17-21,38H,9-16H2,1-8H3;3*1H;/q;;;;+3/p-3
InChI Key	ILUFJFALMAPUMG-UHFFFAOYSA-K
CanonicalSyTyLFy	a485112902117ab3
TotalMolweight	696.086
Molecular Weight	534.789
MonoisotopicMass	534.372246
CLogP	8.3778
CLogS	-6.59
H Acceptors	4
H Donors	1
TotalSurfaceArea	443.41
Relative PSA	0.093255
PolarSurfaceArea	41.68
Drug-likeness	3.3356
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Shape Index	0.35
Molecula Flexibility	0.2417
Molecular Complexity	1.0378
Fragments	5
Non HAtoms	40
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	8
Rings Closures	5
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	16
Aromatic Nitrogens	1
BasicNitrogens	2

Related CAS

Randomized CAS records for additional exploration.

CAS Number	Mutagenic	Tumorigenic	Irritant	Molecule Formula	Mol Weight	Druglikeness	ChemrytIQ
1000-70-0	none	low	high	C7H18N2Si2	186.406	-43.673	ChemrytIQ
100008-89-7	none	none	none	C11H10N4O3	246.225	-1.8465	ChemrytIQ
1000018-24-5	none	none	none	C12H18N4O3	266.3	-0.33651	ChemrytIQ
100019-64-5	none	none	none	C9H10N2O7FP	308.157	-34.083	ChemrytIQ
1000-30-2	none	none	high	C9H16O	140.225	-7.4662	ChemrytIQ
100-64-1	high	high	none	C6H11NO	113.159	-6.4182	ChemrytIQ
1000339-36-5	none	none	none	C16H19NO3S	305.397	-3.4866	ChemrytIQ
100007-54-3	none	none	none	C28H30O13	574.533	-1.9839	ChemrytIQ
1000339-31-0	none	none	high	C12H16NCl	209.719	0.65299	ChemrytIQ
1000339-13-8	low	none	low	C7H10NO4ClS	239.678	-21.883	ChemrytIQ
100-76-5	none	none	high	C7H13N	111.187	3.5517	ChemrytIQ
100-46-9	none	none	none	C7H9N	107.155	-2.0712	ChemrytIQ
1000018-58-5	none	none	none	C6H4NBr2Cl	285.366	-3.6	ChemrytIQ
100009-23-2	none	none	high	C17H22	226.362	-9.7346	ChemrytIQ
100004-54-4	none	high	none	C4H8Te	183.708	-3.9699	ChemrytIQ
10002-06-9	none	none	none	C10H8N3ClS	237.714	2.0874	ChemrytIQ
100031-88-7	none	none	high	C10H30O3Si4	310.689	-53.619	ChemrytIQ
100002-29-7	none	none	none	C12H18N2O3	238.286	2.8956	ChemrytIQ
1000198-76-4	none	none	none	C11H12NF3	215.217	-5.8988	ChemrytIQ
1000296-71-8	none	none	high	C19H27NO8S3	493.62	-2.9952	ChemrytIQ
1000068-25-6	none	none	none	C13H15NO4BF	279.074	-46.077	ChemrytIQ
1000171-05-0	none	none	none	C27H37O3P	440.562	-24.592	ChemrytIQ
100-11-8	low	high	none	C7H6NO2Br	216.034	-13.162	ChemrytIQ
100-69-6	none	none	none	C7H7N	105.14	-4.4598	ChemrytIQ
1000018-70-1	none	none	none	C15H18N2O6	322.316	-6.5762	ChemrytIQ
1000068-65-4	none	none	none	C13H15NO4BF	279.074	-46.077	ChemrytIQ
100005-01-4	none	none	high	C8H21BrSSi2	285.397	-52.815	ChemrytIQ
100021-46-3	none	none	none	C9H11NO2	165.191	-3.1955	ChemrytIQ
100009-92-5	none	none	none	C20H23NO4	341.406	4.6216	ChemrytIQ
100004-80-6	none	none	none	C13H11NO3	229.234	-1.3547	ChemrytIQ
100-55-0	none	none	none	C6H7NO	109.128	-1.9045	ChemrytIQ
10001-82-8	none	none	none	C24H26N4O5S	482.559	9.4242	ChemrytIQ
1000017-97-9	none	none	none	C10H11N3O2	205.216	-1.3937	ChemrytIQ
100007-62-3	none	none	high	C8H13NO	139.197	-8.1398	ChemrytIQ
1000269-67-9	none	none	none	C13H22N4	234.346	0.99367	ChemrytIQ
1000018-44-9	none	none	none	C13H16N2O5	280.279	-2.3885	ChemrytIQ
1000284-53-6	none	none	high	C18H36O2	284.482	-15.583	ChemrytIQ
100009-99-2	low	high	none	C21H25NO4	355.433	2.9337	ChemrytIQ
100-48-1	none	none	none	C6H4N2	104.112	-6.0498	ChemrytIQ
100-77-6	none	none	none	C6H4N2Cl.Cl	139.565	-4.1248	ChemrytIQ
100-41-4	high	high	high	C8H10	106.167	-2.68	ChemrytIQ
1000339-54-7	none	none	none	C9H7O2F3	204.147	-11.176	ChemrytIQ
1000018-23-4	none	none	none	C12H17N3O3	251.285	2.8124	ChemrytIQ
100021-79-2	none	high	high	C16H32O2.C2H8N2	256.428	-25.216	ChemrytIQ
10003-95-9	none	none	none	C10H18N2O17P4	562.146	-25.989	ChemrytIQ
1000018-50-7	none	none	none	C13H16N2O4	264.28	-7.3568	ChemrytIQ
100-50-5	none	none	high	C7H10O	110.155	-9.6048	ChemrytIQ
1000-83-5	low	high	high	C2H6N2OS	106.149	-2.264	ChemrytIQ
100-85-6	none	none	none	HO.C10H16N	150.244	-2.6575	ChemrytIQ
1000-78-8	high	low	none	C11H24N2	184.326	-10.254	ChemrytIQ
100-02-7	none	none	none	C6H5NO3	139.11	-7.5665	ChemrytIQ
1000018-49-4	none	none	none	C14H19NO5S	313.373	2.5797	ChemrytIQ
1000068-42-7	none	none	none	C10H11NO3BrFS	324.169	-2.2263	ChemrytIQ
100-04-9	none	high	none	Cl.C8H10N3	148.188	-2.0275	ChemrytIQ
100-38-9	none	none	high	C6H15NS	133.258	0.17671	ChemrytIQ
100-44-7	high	high	none	C7H7Cl	126.586	-2.365	ChemrytIQ
100008-90-0	none	none	none	C12H11N3O3	245.237	-1.9187	ChemrytIQ
100021-82-7	none	none	none	H3O4P.C18H38N2O	298.513	-22.282	ChemrytIQ
100033-28-1	low	none	high	C6H9N7	179.186	-2.3035	ChemrytIQ
1000-50-6	none	none	high	C6H15ClSi	150.724	-84.768	ChemrytIQ