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

Formula:C18H12N4O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[2-[(2Z)-2-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate is a drug-like molecule.

MolName	4-[[2-[(2Z)-2-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
MolecularFormula	C18H12N4O6Cl
Smiles	[O-]C(c(cc1)ccc1NC(C(N/N=C\C(\Cl)=C\c(cc1)ccc1[N+]([O-])=O)=O)=O)=O
InChI	InChI=1S/C18H13ClN4O6/c19-13(9-11-1-7-15(8-2-11)23(28)29)10-20-22-17(25)16(24)21-14-5-3-12(4-6-14)18(26)27/h1-10H,(H,21,24)(H,22,25)(H,26,27)/p-1
InChIK	VAZSWYMUYICMRR-UHFFFAOYSA-M
TotalMolweight	415.768
Molweight	415.768
MonoisotopicMass	415.044538
CLogP	-0.8887
CLogS	-4.981
H Acceptors	10
H Donors	2
TotalSurfaceArea	305.28
Relative PSA	0.38735
PolarSurfaceArea	156.51
Druglikeness	-1.0447
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.68966
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	4
Amides	1
AcidicOxygens	2
StereoCon

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

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