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

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

MolName	4-[[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoyl]amino]benzoic acid
MolecularFormula	C23H17N3O6
Smiles	[O-][N+](c1ccc(/C=C/C(Nc(cccc2)c2C(Nc(cc2)ccc2C(O)=O)=O)=O)cc1)=O
InChI	InChI=1S/C23H17N3O6/c27-21(14-7-15-5-12-18(13-6-15)26(31)32)25-20-4-2-1-3-19(20)22(28)24-17-10-8-16(9-11-17)23(29)30/h1-14H,(H,24,28)(H,25,27)(H,29,30)
InChIK	PDYYVJSFWSNOOZ-UHFFFAOYSA-N
TotalMolweight	431.403
Molweight	431.403
MonoisotopicMass	431.111737
CLogP	2.8473
CLogS	-5.483
H Acceptors	9
H Donors	3
TotalSurfaceArea	325.47
Relative PSA	0.32433
PolarSurfaceArea	141.32
Druglikeness	-5.5375
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.625
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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1 - 4-[[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoyl]amino]benzoic acid | 2 - 4-[[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoyl]amino]benzoic acid

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