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

Formula:C19H14N2O5Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-3-[(3,4-dichlorophenyl)methyl]-5-[[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-3-[(3,4-dichlorophenyl)methyl]-5-[[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C19H14N2O5Cl2S2
Smiles	[O-][N+](c(cc(/C=C(\C(N1Cc(cc2)cc(Cl)c2Cl)=O)/SC1=O)cc1)c1SCCO)=O
InChI	InChI=1S/C19H14Cl2N2O5S2/c20-13-3-1-12(7-14(13)21)10-22-18(25)17(30-19(22)26)9-11-2-4-16(29-6-5-24)15(8-11)23(27)28/h1-4,7-9,24H,5-6,10H2
InChIK	HMDGJEVVONPLSH-UHFFFAOYSA-N
TotalMolweight	485.367
Molweight	485.367
MonoisotopicMass	483.972117
CLogP	3.4983
CLogS	-6.615
H Acceptors	7
H Donors	1
TotalSurfaceArea	327.15
Relative PSA	0.33052
PolarSurfaceArea	154.03
Druglikeness	-0.62783
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Amides	1
AcidicOxygens	1
StereoCon

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

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