(E)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-3-ylprop-2-enenitrile

Formula:C17H11N3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-3-ylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-3-ylprop-2-enenitrile
MolecularFormula	C17H11N3S
Smiles	N#C/C(/c1nc(-c2ccccc2)cs1)=C\c1cnccc1
InChI	InChI=1S/C17H11N3S/c18-10-15(9-13-5-4-8-19-11-13)17-20-16(12-21-17)14-6-2-1-3-7-14/h1-9,11-12H
InChIK	NTIBSVBATHKABF-UHFFFAOYSA-N
TotalMolweight	289.361
Molweight	289.361
MonoisotopicMass	289.067367
CLogP	2.912
CLogS	-3.642
H Acceptors	3
TotalSurfaceArea	232.66
Relative PSA	0.24009
PolarSurfaceArea	77.81
Druglikeness	-1.6505
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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