(E)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile

Formula:C25H15N2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
MolecularFormula	C25H15N2F3S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2-c2ccccc2)cs1)=C\c1c(C(F)(F)F)cccc1
InChI	InChI=1S/C25H15F3N2S/c26-25(27,28)22-9-5-4-8-20(22)14-21(15-29)24-30-23(16-31-24)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-14,16H
InChIK	TWTVXJKOFBXSSB-UHFFFAOYSA-N
TotalMolweight	432.468
Molweight	432.468
MonoisotopicMass	432.090802
CLogP	6.4204
CLogS	-7.301
H Acceptors	2
TotalSurfaceArea	323.12
Relative PSA	0.13893
PolarSurfaceArea	64.92
Druglikeness	-8.8405
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

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