2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid

Formula:C16H13NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
MolecularFormula	C16H13NO3
Smiles	OC(c(cccc1)c1NC(/C=C/c1ccccc1)=O)=O
InChI	InChI=1S/C16H13NO3/c18-15(11-10-12-6-2-1-3-7-12)17-14-9-5-4-8-13(14)16(19)20/h1-11H,(H,17,18)(H,19,20)
InChIK	GMEKUFJCKPYDAH-UHFFFAOYSA-N
TotalMolweight	267.283
Molweight	267.283
MonoisotopicMass	267.089544
CLogP	2.6214
CLogS	-3.511
H Acceptors	4
H Donors	2
TotalSurfaceArea	212.83
Relative PSA	0.23794
PolarSurfaceArea	66.4
Druglikeness	-0.49361
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	low
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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