3-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid

Formula:C23H17N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	3-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid
MolecularFormula	C23H17N3O6
Smiles	[O-][N+](c1ccc(/C=C(/C(Nc2cc(C(O)=O)ccc2)=O)\NC(c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C23H17N3O6/c27-21(16-5-2-1-3-6-16)25-20(13-15-9-11-19(12-10-15)26(31)32)22(28)24-18-8-4-7-17(14-18)23(29)30/h1-14H,(H,24,28)(H,25,27)(H,29,30)
InChIK	RMNQOBXOMFLTGW-UHFFFAOYSA-N
TotalMolweight	431.403
Molweight	431.403
MonoisotopicMass	431.111737
CLogP	2.9873
CLogS	-5.346
H Acceptors	9
H Donors	3
TotalSurfaceArea	323.68
Relative PSA	0.32612
PolarSurfaceArea	141.32
Druglikeness	-2.1915
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
Amides	2
AcidicOxygens	2
StereoCon

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