2-[(2E)-2-[2-anilino-1-[(2-chloro-4-nitrophenyl)diazenyl]-2-oxoethylidene]hydrazinyl]benzenesulfonic acid

Formula:C20H15N6O6ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(2E)-2-[2-anilino-1-[(2-chloro-4-nitrophenyl)diazenyl]-2-oxoethylidene]hydrazinyl]benzenesulfonic acid is not a drug-like molecule.

MolName	2-[(2E)-2-[2-anilino-1-[(2-chloro-4-nitrophenyl)diazenyl]-2-oxoethylidene]hydrazinyl]benzenesulfonic acid
MolecularFormula	C20H15N6O6ClS
Smiles	[O-][N+](c(cc1)cc(Cl)c1/N=N/C(/C(Nc1ccccc1)=O)=N/Nc(cccc1)c1S(O)(=O)=O)=O
InChI	InChI=1S/C20H15ClN6O6S/c21-15-12-14(27(29)30)10-11-16(15)23-25-19(20(28)22-13-6-2-1-3-7-13)26-24-17-8-4-5-9-18(17)34(31,32)33/h1-12,24H,(H,22,28)(H,31,32,33)
InChIK	ZDKDTRNGMRWCBI-UHFFFAOYSA-N
TotalMolweight	502.894
Molweight	502.894
MonoisotopicMass	502.046231
CLogP	2.9525
CLogS	-4.564
H Acceptors	12
H Donors	3
TotalSurfaceArea	353.46
Relative PSA	0.40341
PolarSurfaceArea	186.78
Druglikeness	-8.8618
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro; azo
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	3
Amides	1
AcidicOxygens	2
StereoCon

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1 - 2-[(2E)-2-[2-anilino-1-[(2-chloro-4-nitrophenyl)diazenyl]-2-oxoethylidene]hydrazinyl]benzenesulfonic acid | 2 - 2-[(2E)-2-[2-anilino-1-[(2-chloro-4-nitrophenyl)diazenyl]-2-oxoethylidene]hydrazinyl]benzenesulfonic acid

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