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

Formula:C18H8N2Cl4S Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(2,4-dichlorophenyl)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(2,4-dichlorophenyl)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C18H8N2Cl4S
Smiles	N#C/C(/c1nc(-c(cc2)cc(Cl)c2Cl)cs1)=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C18H8Cl4N2S/c19-13-3-1-10(15(21)7-13)5-12(8-23)18-24-17(9-25-18)11-2-4-14(20)16(22)6-11/h1-7,9H
InChIK	GAFWGAQDKJHVOE-UHFFFAOYSA-N
TotalMolweight	426.154
Molweight	426.154
MonoisotopicMass	423.916226
CLogP	6.3369
CLogS	-7.381
H Acceptors	2
TotalSurfaceArea	295.58
Relative PSA	0.15187
PolarSurfaceArea	64.92
Druglikeness	-1.6018
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Aromatic Nitrogens	1
StereoCon

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

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