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

Formula:C16H9N3O7S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-5-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C16H9N3O7S
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1ccc(/C=C(\C(N2)=O)/SC2=O)cc1)=O
InChI	InChI=1S/C16H9N3O7S/c20-15-14(27-16(21)17-15)7-9-1-4-11(5-2-9)26-13-6-3-10(18(22)23)8-12(13)19(24)25/h1-8H,(H,17,20,21)
InChIK	LJSVSBRJZPSVKP-UHFFFAOYSA-N
TotalMolweight	387.327
Molweight	387.327
MonoisotopicMass	387.016122
CLogP	1.0418
CLogS	-6.366
H Acceptors	10
H Donors	1
TotalSurfaceArea	266.02
Relative PSA	0.47316
PolarSurfaceArea	172.34
Druglikeness	-2.0893
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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