3-[[2-[(2Z)-2-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-2-oxoacetyl]amino]benzoic acid

Formula:C18H13N4O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[2-[(2Z)-2-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-2-oxoacetyl]amino]benzoic acid is a drug-like molecule.

MolName	3-[[2-[(2Z)-2-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-2-oxoacetyl]amino]benzoic acid
MolecularFormula	C18H13N4O6Cl
Smiles	[O-][N+](c1ccc(/C=C(/C=N\NC(C(Nc2cc(C(O)=O)ccc2)=O)=O)\Cl)cc1)=O
InChI	InChI=1S/C18H13ClN4O6/c19-13(8-11-4-6-15(7-5-11)23(28)29)10-20-22-17(25)16(24)21-14-3-1-2-12(9-14)18(26)27/h1-10H,(H,21,24)(H,22,25)(H,26,27)
InChIK	HNDQQBITMJFFPU-UHFFFAOYSA-N
TotalMolweight	416.776
Molweight	416.776
MonoisotopicMass	416.052363
CLogP	1.1873
CLogS	-4.981
H Acceptors	10
H Donors	3
TotalSurfaceArea	304.1
Relative PSA	0.38497
PolarSurfaceArea	153.68
Druglikeness	-1.2286
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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1 - 3-[[2-[(2Z)-2-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-2-oxoacetyl]amino]benzoic acid | 2 - 3-[[2-[(2Z)-2-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-2-oxoacetyl]amino]benzoic acid

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