(E)-2-(benzenesulfonyl)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enenitrile

Formula:C17H9NO2F6S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(benzenesulfonyl)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(benzenesulfonyl)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enenitrile
MolecularFormula	C17H9NO2F6S
Smiles	N#C/C(/S(c1ccccc1)(=O)=O)=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChI	InChI=1S/C17H9F6NO2S/c18-16(19,20)12-6-11(7-13(9-12)17(21,22)23)8-15(10-24)27(25,26)14-4-2-1-3-5-14/h1-9H
InChIK	PDBIEVWNAKMEEK-UHFFFAOYSA-N
TotalMolweight	405.317
Molweight	405.317
MonoisotopicMass	405.025817
CLogP	4.1061
CLogS	-5.799
H Acceptors	3
TotalSurfaceArea	266.94
Relative PSA	0.15786
PolarSurfaceArea	66.31
Druglikeness	-35.297
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	11
StereoCon

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