(2E,4Z)-2-(1,3-benzothiazol-2-yl)-5-chloro-5-(4-chlorophenyl)penta-2,4-dienenitrile

Formula:C18H10N2Cl2S Mutagenic:high Tumorigenic:low Reproductive Effective:low (2E,4Z)-2-(1,3-benzothiazol-2-yl)-5-chloro-5-(4-chlorophenyl)penta-2,4-dienenitrile is a drug-like molecule.

MolName	(2E,4Z)-2-(1,3-benzothiazol-2-yl)-5-chloro-5-(4-chlorophenyl)penta-2,4-dienenitrile
MolecularFormula	C18H10N2Cl2S
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\C=C(\c(cc1)ccc1Cl)/Cl
InChI	InChI=1S/C18H10Cl2N2S/c19-14-8-5-12(6-9-14)15(20)10-7-13(11-21)18-22-16-3-1-2-4-17(16)23-18/h1-10H
InChIK	GOKKUERONKOXJI-UHFFFAOYSA-N
TotalMolweight	357.263
Molweight	357.263
MonoisotopicMass	355.994172
CLogP	4.8811
CLogS	-4.09
H Acceptors	2
TotalSurfaceArea	264.29
Relative PSA	0.16985
PolarSurfaceArea	64.92
Druglikeness	-2.8615
Mutagenic	high
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions	allyl/benzyl chloride
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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