(Z)-3-(2-chlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

Formula:C18H11N2ClS Mutagenic:none Tumorigenic:high Reproductive Effective:none (Z)-3-(2-chlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(2-chlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C18H11N2ClS
Smiles	N#C/C(/c1nc(-c2ccccc2)cs1)=C/c(cccc1)c1Cl
InChI	InChI=1S/C18H11ClN2S/c19-16-9-5-4-8-14(16)10-15(11-20)18-21-17(12-22-18)13-6-2-1-3-7-13/h1-10,12H
InChIK	RGXIYYLFWLRXAP-UHFFFAOYSA-N
TotalMolweight	322.818
Molweight	322.818
MonoisotopicMass	322.033145
CLogP	4.5189
CLogS	-5.173
H Acceptors	2
TotalSurfaceArea	249.32
Relative PSA	0.18005
PolarSurfaceArea	64.92
Druglikeness	-1.6018
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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