(E)-2-(1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)prop-2-enenitrile

Formula:C16H9N2ClS Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)prop-2-enenitrile
MolecularFormula	C16H9N2ClS
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c(cccc1)c1Cl
InChI	InChI=1S/C16H9ClN2S/c17-13-6-2-1-5-11(13)9-12(10-18)16-19-14-7-3-4-8-15(14)20-16/h1-9H
InChIK	RHTCWNRZDLOQQI-UHFFFAOYSA-N
TotalMolweight	296.78
Molweight	296.78
MonoisotopicMass	296.017495
CLogP	3.9458
CLogS	-4.629
H Acceptors	2
TotalSurfaceArea	224.16
Relative PSA	0.20026
PolarSurfaceArea	64.92
Druglikeness	-3.0001
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Aromatic Nitrogens	1
StereoCon

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