Software for chemicals, Pharmaceutical & Biotech Industry

Chemical : Benzenesulfonic acid, 4-chloro-2-[2-[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-5-methyl-, manganese(2+) salt (2:1)

Casrn : 73384-91-5

MolName : Benzenesulfonic acid, 4-chloro-2-[2-[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-5-methyl-, manganese(2+) salt (2:1)

MolecularFormula : Mn.C25H19N3O6ClS.C25H19N3O6ClS.C25H19N3O6ClS.C25H19N3O6ClS

Smiles : Cc(cc(c(/N=N/c(c1ccccc1cc1C(Nc(cccc2)c2OC)=O)c1O)c1)S([O-])(=O)=O)c1Cl.Cc(cc(c(/N=N/c(c1ccccc1cc1C(Nc(cccc2)c2OC)=O)c1O)c1)S([O-])(=O)=O)c1Cl.Cc(cc(c(N=Nc(c1ccccc1cc1C(Nc(cccc2)c2OC)=O)c1O)c1)S([O-])(=O)=O)c1Cl.Cc(cc(c(N=Nc(c1ccccc1cc1C(Nc(cccc2)c2OC)=O)c

InChI : InChI=1S/4C25H20ClN3O6S.Mn/c4*1-14-11-22(36(32,33)34)20(13-18(14)26)28-29-23-16-8-4-3-7-15(16)12-17(24(23)30)25(31)27-19-9-5-6-10-21(19)35-2;/h4*3-13,30H,1-2H3,(H,27,31)(H,32,33,34);/q;;;;+2/p-4

InChIK : HFAOQLAWMAVGIV-UHFFFAOYSA-J

CanonicalSyTyLFy : dec27130259e909f

TotalMolweight : 2154.78

Molweight : 524.96

MonoisotopicMass : 524.068309

CLogP : 3.261

CLogS : -6.634

H Acceptors : 9

H Donors : 2

TotalSurfaceArea : 372.01

Relative PSA : 0.30505

PolarSurfaceArea : 148.86

Druglikeness : -8.1025

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : high

Nasty Functions : azo

Shape Index : 0.44444

Molecula Flexibility : 0.39281

Molecular Complexity : 0.90322

Fragments : 5

Non HAtoms : 36

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 4

Aromatic Atoms : 22

Sp3Atoms : 6

Symmetricatoms : 1

Amides : 1

AcidicOxygens : 1

StereoCon :

CAS Number	Mutagenic	Tumorigenic	Irritant	Molecule Formula	Mol Weight	Druglikeness
100021-47-4	none	none	none	C13H17N5O6	339.307	-2.7249
100-32-3	none	none	none	C12H8N2O4S2	308.338	-7.3436
10001-82-8	none	none	none	C24H26N4O5S	482.559	9.4242
100-87-8	none	none	none	C7H8O3S	172.204	-10.732
100-29-8	none	none	none	C8H9NO3	167.163	-8.928
100021-05-4	none	none	none	C21H28O2	312.451	0.95307
100-05-0	none	none	none	Cl.C6H4N3O2	150.117	-9.1371
10001-51-1	none	none	none	C9H18N2O	170.255	5.9677
10002-97-8	none	none	none	C18H30O2	278.434	0.24997
1000-30-2	none	none	high	C9H16O	140.225	-7.4662
100-64-1	high	high	none	C6H11NO	113.159	-6.4182
100-79-8	none	low	none	C6H12O3	132.158	-9.8672
1000339-13-8	low	none	low	C7H10NO4ClS	239.678	-21.883
100028-43-1	none	none	none	Br.C21H35N2	315.523	-2.5218
100-85-6	none	none	none	HO.C10H16N	150.244	-2.6575
1000068-23-4	none	low	none	C14H18NO5B	291.11	-44.603
1000018-39-2	high	high	low	C13H20N2O2S	268.38	1.9315
100003-81-4	high	high	none	C8H7N2OClS	214.676	1.4208
1000068-65-4	none	none	none	C13H15NO4BF	279.074	-46.077
100032-79-9	none	high	none	C6H6N3O2Br.HCl	232.037	-11.653
1000339-51-4	none	none	none	C7H4NO4F	185.11	-8.2861
1000018-50-7	none	none	none	C13H16N2O4	264.28	-7.3568
100012-49-5	none	none	none	C10H2O4Br4	505.738	-8.4981
1000339-31-0	none	none	high	C12H16NCl	209.719	0.65299
100027-90-5	high	high	none	C20H26N2Cl2.HCl.HCl	365.346	4.1664
10003-73-3	none	none	none	HCl.C7H10N2	122.17	-2.0712
100031-88-7	none	none	high	C10H30O3Si4	310.689	-53.619
100-20-9	high	none	low	C8H4O2Cl2	203.024	-10.706
100-15-2	none	high	none	C7H8N2O2	152.153	-5.7806
1000166-63-1	none	high	none	C20H23N8O2Br	487.361	-0.90793
100-75-4	high	high	high	C5H10N2O	114.147	-0.86877
1000160-75-7	none	none	low	C14H17O2BS	260.164	-20.35
100-99-2	none	none	low	C12H27Al	198.328	-22.009
100001-06-7	none	none	none	I.C20H28NO	298.448	-2.3411
100-59-4	none	none	none	Cl.C6H5Mg	101.411	-2.3575
1000339-23-0	none	none	none	C6H5N2O2Br	217.022	-3.3311
100-93-6	high	high	high	C19H18N2O2S	338.43	-12.848
100-56-1	high	low	low	C6H5ClHg	313.149	-2.3575
100-11-8	low	high	none	C7H6NO2Br	216.034	-13.162
100009-23-2	none	none	high	C17H22	226.362	-9.7346
100017-22-9	high	high	high	C5H8O2	100.117	-8.1063
100011-00-5	none	none	none	C15H24O2	236.354	-18.044
1000339-27-4	none	none	none	C14H8N3O3Br	346.14	-5.8142
1000018-25-6	none	none	none	C13H24N2O6S	336.408	-32.405
1000-78-8	high	low	none	C11H24N2	184.326	-10.254
100-89-0	none	none	low	C18H36O6B2	370.1	-16.157
100-10-7	none	high	high	C9H11NO	149.192	-1.8715
1000018-21-2	none	none	none	C17H25N3O6S	399.467	-41.344
100004-54-4	none	high	none	C4H8Te	183.708	-3.9699
1000068-26-7	none	none	none	C13H15NO4BF	279.074	-46.077
1000-16-4	none	none	none	C13H30NO3P	279.359	-34.244
100021-79-2	none	high	high	C16H32O2.C2H8N2	256.428	-25.216
100033-28-1	low	none	high	C6H9N7	179.186	-2.3035
10002-06-9	none	none	none	C10H8N3ClS	237.714	2.0874
100-17-4	none	none	none	C7H7NO3	153.137	-7.2945
1000058-38-7	none	none	none	C11H12N2O2	204.228	-4.6529
10001-43-1	none	none	none	C15H18N6O2	314.348	4.1828
100027-27-8	none	none	none	CH3I.C20H24N2	292.425	3.4994
1000018-49-4	none	none	none	C14H19NO5S	313.373	2.5797
1000303-67-2	none	none	none	C6H8N2O	124.143	2.717

1 Click to Load Molecule - Benzenesulfonic acid, 4-chloro-2-[2-[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-5-methyl-, manganese(2+) salt (2:1)
2 Click to Load Molecule - Benzenesulfonic acid, 4-chloro-2-[2-[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-5-methyl-, manganese(2+) salt (2:1)

Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

Chemical : Benzenesulfonic acid, 4-chloro-2-[2-[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-5-methyl-, manganese(2+) salt (2:1)