[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 4-chlorobenzenesulfonate

Formula:C14H12N3O5ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 4-chlorobenzenesulfonate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 4-chlorobenzenesulfonate
MolecularFormula	C14H12N3O5ClS
Smiles	N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OS(c(cc1)ccc1Cl)(=O)=O
InChI	InChI=1S/C14H12ClN3O5S/c15-11-3-7-13(8-4-11)24(21,22)23-17-14(16)9-10-1-5-12(6-2-10)18(19)20/h1-8H,9H2,(H2,16,17)
InChIK	DWTOGNWKNNWWKL-UHFFFAOYSA-N
TotalMolweight	369.784
Molweight	369.784
MonoisotopicMass	369.018619
CLogP	2.9791
CLogS	-3.77
H Acceptors	8
H Donors	1
TotalSurfaceArea	255.94
Relative PSA	0.37423
PolarSurfaceArea	135.95
Druglikeness	-11.461
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	5
AcidicOxygens	1
StereoCon

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1 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 4-chlorobenzenesulfonate | 2 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 4-chlorobenzenesulfonate

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