(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

Formula:C16H15N2O2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
MolecularFormula	C16H15N2O2F3
Smiles	N#C/C(/C(NCC1OCCC1)=O)=C/c1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C16H15F3N2O2/c17-16(18,19)13-5-3-11(4-6-13)8-12(9-20)15(22)21-10-14-2-1-7-23-14/h3-6,8,14H,1-2,7,10H2,(H,21,22)/t14-/m1/s1
InChIK	GCEHAGRESJNFQR-CQSZACIVSA-N
TotalMolweight	324.301
Molweight	324.301
MonoisotopicMass	324.108562
CLogP	2.4277
CLogS	-3.726
H Acceptors	4
H Donors	1
TotalSurfaceArea	242.39
Relative PSA	0.19828
PolarSurfaceArea	62.12
Druglikeness	-9.7678
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	4
Amides	1
StereoCon	racemate

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