4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]benzonitrile

Formula:C16H10N2S Mutagenic:none Tumorigenic:low Reproductive Effective:none 4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]benzonitrile is a drug-like molecule.

MolName	4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]benzonitrile
MolecularFormula	C16H10N2S
Smiles	N#Cc1ccc(/C=C/c2nc(cccc3)c3s2)cc1
InChI	InChI=1S/C16H10N2S/c17-11-13-7-5-12(6-8-13)9-10-16-18-14-3-1-2-4-15(14)19-16/h1-10H
InChIK	PRDNXDBSCYXAEJ-UHFFFAOYSA-N
TotalMolweight	262.335
Molweight	262.335
MonoisotopicMass	262.056468
CLogP	3.7094
CLogS	-4.789
H Acceptors	2
TotalSurfaceArea	210.53
Relative PSA	0.21322
PolarSurfaceArea	64.92
Druglikeness	-3.4248
Mutagenic	none
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68421
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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