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

Formula:C16H10N2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-phenylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-phenylprop-2-enenitrile
MolecularFormula	C16H10N2S2
Smiles	N#C/C(/Sc1nc(cccc2)c2s1)=C\c1ccccc1
InChI	InChI=1S/C16H10N2S2/c17-11-13(10-12-6-2-1-3-7-12)19-16-18-14-8-4-5-9-15(14)20-16/h1-10H
InChIK	PSPGCJCCKHFVFT-UHFFFAOYSA-N
TotalMolweight	294.401
Molweight	294.401
MonoisotopicMass	294.028538
CLogP	4.3866
CLogS	-5.51
H Acceptors	2
TotalSurfaceArea	226.23
Relative PSA	0.27574
PolarSurfaceArea	90.22
Druglikeness	-3.4283
Mutagenic	none
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	15
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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