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
100020-34-6	none	none	none	C13H18S2	238.418	-0.23079	ChemrytIQ
1000018-49-4	none	none	none	C14H19NO5S	313.373	2.5797	ChemrytIQ
1000058-38-7	none	none	none	C11H12N2O2	204.228	-4.6529	ChemrytIQ
100-52-7	high	high	high	C7H6O	106.124	-4.225	ChemrytIQ
100-06-1	none	none	none	C9H10O2	150.176	-1.6836	ChemrytIQ
100004-54-4	none	high	none	C4H8Te	183.708	-3.9699	ChemrytIQ
10002-97-8	none	none	none	C18H30O2	278.434	0.24997	ChemrytIQ
1000-23-3	high	high	low	C4H6O4Cl2Sn	307.704	-8.6766	ChemrytIQ
100-01-6	none	none	none	C6H6N2O2	138.126	-7.2389	ChemrytIQ
10002-37-6	none	none	none	C9H16N2O	168.239	-3.8085	ChemrytIQ
1000339-30-9	none	none	none	C8H10N3Cl	183.641	2.1	ChemrytIQ
100-23-2	none	high	none	C8H10N2O2	166.179	-5.0759	ChemrytIQ
1000339-52-5	none	none	none	C7H3N2O2F	166.111	-12.761	ChemrytIQ
100032-79-9	none	high	none	C6H6N3O2Br.HCl	232.037	-11.653	ChemrytIQ
100-96-9	high	none	none	C7H10N2O	138.169	-1.7412	ChemrytIQ
10001-08-8	none	none	high	C11H22N2O	198.309	-3.1037	ChemrytIQ
100-22-1	high	high	none	C10H16N2	164.251	0.40939	ChemrytIQ
100-67-4	none	none	none	K.C6H5O	93.1047	-2.2548	ChemrytIQ
1000-82-4	low	high	high	C2H6N2O2	90.0816	0.41759	ChemrytIQ
100001-06-7	none	none	none	I.C20H28NO	298.448	-2.3411	ChemrytIQ
1000-63-1	none	none	high	C8H18O	130.23	-19.78	ChemrytIQ
100021-81-6	none	none	none	H3O4P.C20H42N2O	326.566	-22.282	ChemrytIQ
1000335-27-2	none	none	none	C10H15N4OCl	242.709	0.81574	ChemrytIQ
100-71-0	none	none	none	C7H9N	107.155	-2.2725	ChemrytIQ
10000-20-1	none	low	high	C12H32N2Si2	260.572	-64.51	ChemrytIQ
1000-22-2	low	high	low	C6H14O2FPS	200.213	-11.052	ChemrytIQ
100-90-3	none	none	none	C14H16N4O3S	320.372	4.7301	ChemrytIQ
1000017-97-9	none	none	none	C10H11N3O2	205.216	-1.3937	ChemrytIQ
100-48-1	none	none	none	C6H4N2	104.112	-6.0498	ChemrytIQ
1000-46-0	none	none	none	C7H18Ge	174.83	-4.6976	ChemrytIQ
1000068-23-4	none	low	none	C14H18NO5B	291.11	-44.603	ChemrytIQ
1000017-94-6	none	none	none	C8H5N2O2Cl	196.593	2.9136	ChemrytIQ
100031-76-3	none	none	none	C30H44NO8P	577.652	-46.719	ChemrytIQ
1000-36-8	none	none	none	C11H25O3P	236.29	-27.011	ChemrytIQ
100-62-9	low	none	none	C7H7N	105.14	-1.1924	ChemrytIQ
100-29-8	none	none	none	C8H9NO3	167.163	-8.928	ChemrytIQ
1000025-92-2	none	none	none	C20H16N2O2	316.359	-6.3825	ChemrytIQ
100003-85-8	high	high	none	C13H8N2OCl2S	311.192	1.0858	ChemrytIQ
1000171-05-0	none	none	none	C27H37O3P	440.562	-24.592	ChemrytIQ
1000017-98-0	none	none	none	C8H4N2O2BrCl	275.489	-2.5326	ChemrytIQ
100-93-6	high	high	high	C19H18N2O2S	338.43	-12.848	ChemrytIQ
1000339-22-9	none	none	none	C8H5NO4F2	217.127	-8.0943	ChemrytIQ
100021-05-4	none	none	none	C21H28O2	312.451	0.95307	ChemrytIQ
1000017-93-5	none	none	none	C8H5N2O2Cl	196.593	2.9136	ChemrytIQ
100008-90-0	none	none	none	C12H11N3O3	245.237	-1.9187	ChemrytIQ
100-91-4	none	none	high	C17H25NO3	291.39	3.3475	ChemrytIQ
100004-80-6	none	none	none	C13H11NO3	229.234	-1.3547	ChemrytIQ
100016-58-8	none	high	none	C19H19NO5	341.362	1.8385	ChemrytIQ
1000339-36-5	none	none	none	C16H19NO3S	305.397	-3.4866	ChemrytIQ
100-55-0	none	none	none	C6H7NO	109.128	-1.9045	ChemrytIQ
100-16-3	low	high	none	C6H7N3O2	153.141	-9.8627	ChemrytIQ
100011-01-6	none	none	none	C9H18O2	158.24	-2.3462	ChemrytIQ
100-44-7	high	high	none	C7H7Cl	126.586	-2.365	ChemrytIQ
100009-99-2	low	high	none	C21H25NO4	355.433	2.9337	ChemrytIQ
1000018-48-3	none	none	none	C12H15NO4S	269.32	1.5148	ChemrytIQ
1000068-26-7	none	none	none	C13H15NO4BF	279.074	-46.077	ChemrytIQ
100009-01-6	none	none	none	C15H13N3O3	283.286	-2.3895	ChemrytIQ
100-73-2	high	none	none	C6H8O2	112.128	-6.3422	ChemrytIQ
10-13-2009	none	none	none	C15H14O5	274.271	-1.4702	ChemrytIQ
1000018-23-4	none	none	none	C12H17N3O3	251.285	2.8124	ChemrytIQ