(5Z)-3-[(4-chloroanilino)methyl]-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Formula:C17H11N2O2Cl3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[(4-chloroanilino)methyl]-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-3-[(4-chloroanilino)methyl]-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C17H11N2O2Cl3S
Smiles	O=C(/C(/S1)=C/c(c(Cl)ccc2)c2Cl)N(CNc(cc2)ccc2Cl)C1=O
InChI	InChI=1S/C17H11Cl3N2O2S/c18-10-4-6-11(7-5-10)21-9-22-16(23)15(25-17(22)24)8-12-13(19)2-1-3-14(12)20/h1-8,21H,9H2
InChIK	KLLBNQQWDOJTKI-UHFFFAOYSA-N
TotalMolweight	413.711
Molweight	413.711
MonoisotopicMass	411.960679
CLogP	4.7217
CLogS	-6.816
H Acceptors	4
H Donors	1
TotalSurfaceArea	279
Relative PSA	0.20996
PolarSurfaceArea	74.71
Druglikeness	3.829
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	methanediamine; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	5
Amides	1
StereoCon

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1 - (5Z)-3-[(4-chloroanilino)methyl]-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-[(4-chloroanilino)methyl]-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione

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