4-[[(E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzoic acid

Formula:C18H11N2O3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	4-[[(E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzoic acid
MolecularFormula	C18H11N2O3F3
Smiles	N#C/C(/C(Nc(cc1)ccc1C(O)=O)=O)=C\c1cccc(C(F)(F)F)c1
InChI	InChI=1S/C18H11F3N2O3/c19-18(20,21)14-3-1-2-11(9-14)8-13(10-22)16(24)23-15-6-4-12(5-7-15)17(25)26/h1-9H,(H,23,24)(H,25,26)
InChIK	VHHIEWPPFFJHAQ-UHFFFAOYSA-N
TotalMolweight	360.29
Molweight	360.29
MonoisotopicMass	360.072177
CLogP	3.3217
CLogS	-4.561
H Acceptors	5
H Donors	2
TotalSurfaceArea	262.21
Relative PSA	0.24484
PolarSurfaceArea	90.19
Druglikeness	-9.0394
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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