(E)-N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-3-phenylprop-2-enamide

Formula:C18H12N2OF6S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-3-phenylprop-2-enamide
MolecularFormula	C18H12N2OF6S
Smiles	O=C(/C=C/c1ccccc1)NC(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=S
InChI	InChI=1S/C18H12F6N2OS/c19-17(20,21)12-8-13(18(22,23)24)10-14(9-12)25-16(28)26-15(27)7-6-11-4-2-1-3-5-11/h1-10H,(H2,25,26,27,28)
InChIK	IAXRUDFNYNKUBH-UHFFFAOYSA-N
TotalMolweight	418.36
Molweight	418.36
MonoisotopicMass	418.057451
CLogP	5.0153
CLogS	-5.599
H Acceptors	3
H Donors	2
TotalSurfaceArea	291.82
Relative PSA	0.21918
PolarSurfaceArea	73.22
Druglikeness	-7.7483
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	10
Amides	1
StereoCon

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