(5Z)-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

Formula:C22H13N3O7S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
MolecularFormula	C22H13N3O7S
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1cccc(/C=C(/C(N2c3ccccc3)=O)\SC2=O)c1)=O
InChI	InChI=1S/C22H13N3O7S/c26-21-20(33-22(27)23(21)15-6-2-1-3-7-15)12-14-5-4-8-17(11-14)32-19-10-9-16(24(28)29)13-18(19)25(30)31/h1-13H
InChIK	ZQNMEXHMXDVBOH-UHFFFAOYSA-N
TotalMolweight	463.425
Molweight	463.425
MonoisotopicMass	463.047422
CLogP	2.7899
CLogS	-7.849
H Acceptors	10
TotalSurfaceArea	324.62
Relative PSA	0.36338
PolarSurfaceArea	163.55
Druglikeness	-1.8994
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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