(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(hydroxymethyl)-1,3-thiazolidine-2,4-dione

Formula:C11H7NO3Cl2S Mutagenic:low Tumorigenic:high Reproductive Effective:high (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(hydroxymethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(hydroxymethyl)-1,3-thiazolidine-2,4-dione
MolecularFormula	C11H7NO3Cl2S
Smiles	OCN(C(/C(/S1)=C/c(ccc(Cl)c2)c2Cl)=O)C1=O
InChI	InChI=1S/C11H7Cl2NO3S/c12-7-2-1-6(8(13)4-7)3-9-10(16)14(5-15)11(17)18-9/h1-4,15H,5H2
InChIK	HPQSVVDALWITHS-UHFFFAOYSA-N
TotalMolweight	304.153
Molweight	304.153
MonoisotopicMass	302.952368
CLogP	2.4533
CLogS	-4.581
H Acceptors	4
H Donors	1
TotalSurfaceArea	198.71
Relative PSA	0.30305
PolarSurfaceArea	82.91
Druglikeness	3.2828
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	formaldehyde aduct; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Amides	1
StereoCon

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