(E)-2-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)prop-2-enenitrile

Formula:C16H9N2FS Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-2-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)prop-2-enenitrile
MolecularFormula	C16H9N2FS
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c(cccc1)c1F
InChI	InChI=1S/C16H9FN2S/c17-13-6-2-1-5-11(13)9-12(10-18)16-19-14-7-3-4-8-15(14)20-16/h1-9H
InChIK	USMQSTTXRQTZBK-UHFFFAOYSA-N
TotalMolweight	280.325
Molweight	280.325
MonoisotopicMass	280.047046
CLogP	3.4406
CLogS	-4.207
H Acceptors	2
TotalSurfaceArea	215.09
Relative PSA	0.2087
PolarSurfaceArea	64.92
Druglikeness	-4.4093
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Aromatic Nitrogens	1
StereoCon

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