(E)-3-phenyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile

Formula:C16H10N2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-phenyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-phenyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C16H10N2S2
Smiles	N#C/C(/c1nc(-c2cccs2)cs1)=C\c1ccccc1
InChI	InChI=1S/C16H10N2S2/c17-10-13(9-12-5-2-1-3-6-12)16-18-14(11-20-16)15-7-4-8-19-15/h1-9,11H
InChIK	UOFIYEYIZYJFFP-UHFFFAOYSA-N
TotalMolweight	294.401
Molweight	294.401
MonoisotopicMass	294.028538
CLogP	3.9364
CLogS	-4.358
H Acceptors	2
TotalSurfaceArea	229.84
Relative PSA	0.28389
PolarSurfaceArea	93.16
Druglikeness	-0.79534
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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