4-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-N-(3-chlorophenyl)-3-nitrobenzenesulfonamide

Formula:C20H15N4O6ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-N-(3-chlorophenyl)-3-nitrobenzenesulfonamide is a drug-like molecule.

MolName	4-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-N-(3-chlorophenyl)-3-nitrobenzenesulfonamide
MolecularFormula	C20H15N4O6ClS
Smiles	[O-][N+](c(cc(cc1)S(Nc2cccc(Cl)c2)(=O)=O)c1N/N=C\c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C20H15ClN4O6S/c21-14-2-1-3-15(9-14)24-32(28,29)16-5-6-17(18(10-16)25(26)27)23-22-11-13-4-7-19-20(8-13)31-12-30-19/h1-11,23-24H,12H2
InChIK	MMWBHVAPZISBAL-UHFFFAOYSA-N
TotalMolweight	474.88
Molweight	474.88
MonoisotopicMass	474.040083
CLogP	4.9358
CLogS	-6.389
H Acceptors	10
H Donors	2
TotalSurfaceArea	328.39
Relative PSA	0.34541
PolarSurfaceArea	143.22
Druglikeness	-3.9376
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	1
Amides	1
AcidicOxygens	1
StereoCon

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