(E)-3-(4-chlorophenyl)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C18H9N2Cl3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-chlorophenyl)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C18H9N2Cl3S
Smiles	N#C/C(/c1nc(-c(cc2)cc(Cl)c2Cl)cs1)=C\c(cc1)ccc1Cl
InChI	InChI=1S/C18H9Cl3N2S/c19-14-4-1-11(2-5-14)7-13(9-22)18-23-17(10-24-18)12-3-6-15(20)16(21)8-12/h1-8,10H
InChIK	ZRTQNVQWQCHKCI-UHFFFAOYSA-N
TotalMolweight	391.708
Molweight	391.708
MonoisotopicMass	389.955199
CLogP	5.7309
CLogS	-6.645
H Acceptors	2
TotalSurfaceArea	280.16
Relative PSA	0.16023
PolarSurfaceArea	64.92
Druglikeness	-1.6018
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
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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