[4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] benzoate

Formula:C24H15N2O3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] benzoate is not a drug-like molecule.

MolName	[4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] benzoate
MolecularFormula	C24H15N2O3F3
Smiles	N#C/C(/C(Nc1c(C(F)(F)F)cccc1)=O)=C\c(cc1)ccc1OC(c1ccccc1)=O
InChI	InChI=1S/C24H15F3N2O3/c25-24(26,27)20-8-4-5-9-21(20)29-22(30)18(15-28)14-16-10-12-19(13-11-16)32-23(31)17-6-2-1-3-7-17/h1-14H,(H,29,30)
InChIK	PCTYIPDXTHWUCO-UHFFFAOYSA-N
TotalMolweight	436.388
Molweight	436.388
MonoisotopicMass	436.103477
CLogP	5.2671
CLogS	-6.018
H Acceptors	5
H Donors	1
TotalSurfaceArea	325.62
Relative PSA	0.18764
PolarSurfaceArea	79.19
Druglikeness	-9.0426
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	6
Amides	1
StereoCon

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