(5E)-3-[(4-chlorophenyl)methyl]-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Formula:C17H12NO4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-3-[(4-chlorophenyl)methyl]-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-3-[(4-chlorophenyl)methyl]-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C17H12NO4ClS
Smiles	Oc(ccc(/C=C(\C(N1Cc(cc2)ccc2Cl)=O)/SC1=O)c1)c1O
InChI	InChI=1S/C17H12ClNO4S/c18-12-4-1-10(2-5-12)9-19-16(22)15(24-17(19)23)8-11-3-6-13(20)14(21)7-11/h1-8,20-21H,9H2
InChIK	JQHPUCJEIZXPKP-UHFFFAOYSA-N
TotalMolweight	361.804
Molweight	361.804
MonoisotopicMass	361.017556
CLogP	3.075
CLogS	-4.254
H Acceptors	5
H Donors	2
TotalSurfaceArea	249.4
Relative PSA	0.29399
PolarSurfaceArea	103.14
Druglikeness	4.4413
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon

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