3-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid

Formula:C23H16N3O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	3-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid
MolecularFormula	C23H16N3O6Cl
Smiles	[O-][N+](c1ccc(/C=C(\C(Nc2cc(C(O)=O)ccc2)=O)/NC(c(cccc2)c2Cl)=O)cc1)=O
InChI	InChI=1S/C23H16ClN3O6/c24-19-7-2-1-6-18(19)21(28)26-20(12-14-8-10-17(11-9-14)27(32)33)22(29)25-16-5-3-4-15(13-16)23(30)31/h1-13H,(H,25,29)(H,26,28)(H,30,31)
InChIK	QXNSENMKKMXMKH-UHFFFAOYSA-N
TotalMolweight	465.848
Molweight	465.848
MonoisotopicMass	465.072764
CLogP	3.5933
CLogS	-6.082
H Acceptors	9
H Donors	3
TotalSurfaceArea	339.1
Relative PSA	0.31129
PolarSurfaceArea	141.32
Druglikeness	-2.1227
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

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1 - 3-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid | 2 - 3-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid

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