(5E)-3-(1,3-benzodioxol-5-yl)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C17H9NO4Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-3-(1,3-benzodioxol-5-yl)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-3-(1,3-benzodioxol-5-yl)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C17H9NO4Cl2S2
Smiles	Oc(c(Cl)cc(/C=C(\C(N1c(cc2)cc3c2OCO3)=O)/SC1=S)c1)c1Cl
InChI	InChI=1S/C17H9Cl2NO4S2/c18-10-3-8(4-11(19)15(10)21)5-14-16(22)20(17(25)26-14)9-1-2-12-13(6-9)24-7-23-12/h1-6,21H,7H2
InChIK	JLOCANMWSTWVNX-UHFFFAOYSA-N
TotalMolweight	426.299
Molweight	426.299
MonoisotopicMass	424.935003
CLogP	3.87
CLogS	-6.87
H Acceptors	5
H Donors	1
TotalSurfaceArea	279.93
Relative PSA	0.34001
PolarSurfaceArea	116.39
Druglikeness	2.8299
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	3
Amides	1
StereoCon

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1 - (5E)-3-(1,3-benzodioxol-5-yl)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-(1,3-benzodioxol-5-yl)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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