(E)-2-(benzenesulfonyl)-3-[4-[(3,5-difluorophenyl)methoxy]phenyl]prop-2-enenitrile

Formula:C22H15NO3F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(benzenesulfonyl)-3-[4-[(3,5-difluorophenyl)methoxy]phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(benzenesulfonyl)-3-[4-[(3,5-difluorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C22H15NO3F2S
Smiles	N#C/C(/S(c1ccccc1)(=O)=O)=C\c(cc1)ccc1OCc1cc(F)cc(F)c1
InChI	InChI=1S/C22H15F2NO3S/c23-18-10-17(11-19(24)13-18)15-28-20-8-6-16(7-9-20)12-22(14-25)29(26,27)21-4-2-1-3-5-21/h1-13H,15H2
InChIK	KMHBAGYEUBZARP-UHFFFAOYSA-N
TotalMolweight	411.427
Molweight	411.427
MonoisotopicMass	411.07407
CLogP	3.9592
CLogS	-6.212
H Acceptors	4
TotalSurfaceArea	304.24
Relative PSA	0.17138
PolarSurfaceArea	75.54
Druglikeness	-15.347
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	8
StereoCon

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