2-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Formula:C19H14N2OF4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is a drug-like molecule.

MolName	2-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
MolecularFormula	C19H14N2OF4S
Smiles	N#Cc1c(C(F)(F)F)c(CCCC2)c2nc1S/C=C(/c(cc1)ccc1F)\O
InChI	InChI=1S/C19H14F4N2OS/c20-12-7-5-11(6-8-12)16(26)10-27-18-14(9-24)17(19(21,22)23)13-3-1-2-4-15(13)25-18/h5-8,10,26H,1-4H2
InChIK	MLRCNXQWXJNOJS-UHFFFAOYSA-N
TotalMolweight	394.391
Molweight	394.391
MonoisotopicMass	394.076295
CLogP	4.3
CLogS	-5.622
H Acceptors	3
H Donors	1
TotalSurfaceArea	279.39
Relative PSA	0.19729
PolarSurfaceArea	82.21
Druglikeness	-17.403
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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1 - 2-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile | 2 - 2-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

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