(E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enenitrile

Formula:C16H10N2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-phenylprop-2-enenitrile
MolecularFormula	C16H10N2S
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c1ccccc1
InChI	InChI=1S/C16H10N2S/c17-11-13(10-12-6-2-1-3-7-12)16-18-14-8-4-5-9-15(14)19-16/h1-10H
InChIK	UUPWGOWJOMCZDQ-UHFFFAOYSA-N
TotalMolweight	262.335
Molweight	262.335
MonoisotopicMass	262.056468
CLogP	3.3398
CLogS	-3.893
H Acceptors	2
TotalSurfaceArea	208.74
Relative PSA	0.21505
PolarSurfaceArea	64.92
Druglikeness	-3.0693
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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