(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-3-[[(2S)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-4-one

Formula:C21H19N3O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-3-[[(2S)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-3-[[(2S)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-4-one
MolecularFormula	C21H19N3O5S
Smiles	[O-][N+](c(cc(/C=C(\C(N1C[C@H]2OCCC2)=O)/S/C1=N\c1ccccc1)cc1)c1O)=O
InChI	InChI=1S/C21H19N3O5S/c25-18-9-8-14(11-17(18)24(27)28)12-19-20(26)23(13-16-7-4-10-29-16)21(30-19)22-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,16,25H,4,7,10,13H2/t16-/m0/s1
InChIK	ZUVOTKSZXLTFMO-INIZCTEOSA-N
TotalMolweight	425.464
Molweight	425.464
MonoisotopicMass	425.104542
CLogP	2.2153
CLogS	-4.854
H Acceptors	8
H Donors	1
TotalSurfaceArea	306.8
Relative PSA	0.32304
PolarSurfaceArea	133.25
Druglikeness	-1.7362
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon	this enantiomer

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