4-(chloromethyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-thiazole

Formula:C12H9NCl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-(chloromethyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-thiazole is a drug-like molecule.

MolName	4-(chloromethyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-thiazole
MolecularFormula	C12H9NCl2S
Smiles	ClCc1csc(/C=C/c(cc2)ccc2Cl)n1
InChI	InChI=1S/C12H9Cl2NS/c13-7-11-8-16-12(15-11)6-3-9-1-4-10(14)5-2-9/h1-6,8H,7H2
InChIK	PEUSCNNFYIEYGB-UHFFFAOYSA-N
TotalMolweight	270.182
Molweight	270.182
MonoisotopicMass	268.983273
CLogP	3.8908
CLogS	-4.66
H Acceptors	1
TotalSurfaceArea	198.82
Relative PSA	0.15758
PolarSurfaceArea	41.13
Druglikeness	2.3105
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	allyl/benzyl chloride
Shape Index	0.75
Fragments	1
Non HAtoms	16
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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