(5E)-5-[[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C18H13N3O6S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-5-[[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C18H13N3O6S3
Smiles	[O-][N+](c(cc1)ccc1N(C(/C(/S1)=C\c(cc2)cc([N+]([O-])=O)c2SCCO)=O)C1=S)=O
InChI	InChI=1S/C18H13N3O6S3/c22-7-8-29-15-6-1-11(9-14(15)21(26)27)10-16-17(23)19(18(28)30-16)12-2-4-13(5-3-12)20(24)25/h1-6,9-10,22H,7-8H2
InChIK	OXYGBNNNWCSOFN-UHFFFAOYSA-N
TotalMolweight	463.514
Molweight	463.514
MonoisotopicMass	462.996647
CLogP	1.0966
CLogS	-6.476
H Acceptors	9
H Donors	1
TotalSurfaceArea	321.18
Relative PSA	0.47796
PolarSurfaceArea	214.87
Druglikeness	-2.2129
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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