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

Formula:C16H12N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid
MolecularFormula	C16H12N2O5
Smiles	[O-][N+](c1ccc(/C=C/C(Nc(cccc2)c2C(O)=O)=O)cc1)=O
InChI	InChI=1S/C16H12N2O5/c19-15(17-14-4-2-1-3-13(14)16(20)21)10-7-11-5-8-12(9-6-11)18(22)23/h1-10H,(H,17,19)(H,20,21)
InChIK	UPNNOOAADGYKFC-UHFFFAOYSA-N
TotalMolweight	312.28
Molweight	312.28
MonoisotopicMass	312.074623
CLogP	1.6998
CLogS	-3.971
H Acceptors	7
H Donors	2
TotalSurfaceArea	236.5
Relative PSA	0.34275
PolarSurfaceArea	112.22
Druglikeness	-5.5375
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
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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