[(Z)-[1-amino-3-(4-chlorophenyl)sulfonylpropylidene]amino] 4-nitrobenzoate

Formula:C16H14N3O6ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none [(Z)-[1-amino-3-(4-chlorophenyl)sulfonylpropylidene]amino] 4-nitrobenzoate is a drug-like molecule.

MolName	[(Z)-[1-amino-3-(4-chlorophenyl)sulfonylpropylidene]amino] 4-nitrobenzoate
MolecularFormula	C16H14N3O6ClS
Smiles	N/C(/CCS(c(cc1)ccc1Cl)(=O)=O)=N\OC(c(cc1)ccc1[N+]([O-])=O)=O
InChI	InChI=1S/C16H14ClN3O6S/c17-12-3-7-14(8-4-12)27(24,25)10-9-15(18)19-26-16(21)11-1-5-13(6-2-11)20(22)23/h1-8H,9-10H2,(H2,18,19)
InChIK	KLMCPEWIIJKPTQ-UHFFFAOYSA-N
TotalMolweight	411.821
Molweight	411.821
MonoisotopicMass	411.029184
CLogP	1.9485
CLogS	-5.113
H Acceptors	9
H Donors	1
TotalSurfaceArea	287.45
Relative PSA	0.37857
PolarSurfaceArea	153.02
Druglikeness	-18.912
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	5
AcidicOxygens	1
StereoCon

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