(E)-2-(benzenesulfonyl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enenitrile

Formula:C25H17N2O2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(benzenesulfonyl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(benzenesulfonyl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enenitrile
MolecularFormula	C25H17N2O2F3S
Smiles	N#C/C(/S(c1ccccc1)(=O)=O)=C\c1cn(Cc2cc(C(F)(F)F)ccc2)c2c1cccc2
InChI	InChI=1S/C25H17F3N2O2S/c26-25(27,28)20-8-6-7-18(13-20)16-30-17-19(23-11-4-5-12-24(23)30)14-22(15-29)33(31,32)21-9-2-1-3-10-21/h1-14,17H,16H2
InChIK	PYQQKDWUMYGQBJ-UHFFFAOYSA-N
TotalMolweight	466.482
Molweight	466.482
MonoisotopicMass	466.096282
CLogP	4.7875
CLogS	-5.999
H Acceptors	4
TotalSurfaceArea	334.8
Relative PSA	0.14639
PolarSurfaceArea	71.24
Druglikeness	-16.761
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	5
Aromatic Nitrogens	1
StereoCon

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