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

Formula:C17H11NO4Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-3-[(3,4-dichlorophenyl)methyl]-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-3-[(3,4-dichlorophenyl)methyl]-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C17H11NO4Cl2S
Smiles	Oc(ccc(/C=C(\C(N1Cc(cc2)cc(Cl)c2Cl)=O)/SC1=O)c1)c1O
InChI	InChI=1S/C17H11Cl2NO4S/c18-11-3-1-10(5-12(11)19)8-20-16(23)15(25-17(20)24)7-9-2-4-13(21)14(22)6-9/h1-7,21-22H,8H2
InChIK	QDHWWTOZOYDKQJ-UHFFFAOYSA-N
TotalMolweight	396.249
Molweight	396.249
MonoisotopicMass	394.978583
CLogP	3.681
CLogS	-4.99
H Acceptors	5
H Donors	2
TotalSurfaceArea	264.82
Relative PSA	0.27687
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	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Amides	1
StereoCon

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