(2E,4Z)-2,4-bis[(2-chlorophenyl)methylidene]thiolan-3-one

Formula:C18H12OCl2S Mutagenic:none Tumorigenic:high Reproductive Effective:none (2E,4Z)-2,4-bis[(2-chlorophenyl)methylidene]thiolan-3-one is not a drug-like molecule.

MolName	(2E,4Z)-2,4-bis[(2-chlorophenyl)methylidene]thiolan-3-one
MolecularFormula	C18H12OCl2S
Smiles	O=C(/C(/CS1)=C/c(cccc2)c2Cl)/C1=C\c(cccc1)c1Cl
InChI	InChI=1S/C18H12Cl2OS/c19-15-7-3-1-5-12(15)9-14-11-22-17(18(14)21)10-13-6-2-4-8-16(13)20/h1-10H,11H2
InChIK	JAUUZNLIXJARRT-UHFFFAOYSA-N
TotalMolweight	347.264
Molweight	347.264
MonoisotopicMass	345.998589
CLogP	5.3171
CLogS	-6.025
H Acceptors	1
TotalSurfaceArea	248.78
Relative PSA	0.12272
PolarSurfaceArea	42.37
Druglikeness	2.1135
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
StereoCon

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