(5E)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Formula:C14H9N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5E)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C14H9N3O4S
Smiles	[O-][N+](c(cc1)ccc1-n1c(/C=C(\C(N2)=O)/SC2=O)ccc1)=O
InChI	InChI=1S/C14H9N3O4S/c18-13-12(22-14(19)15-13)8-11-2-1-7-16(11)9-3-5-10(6-4-9)17(20)21/h1-8H,(H,15,18,19)
InChIK	DHUMWXQIWNPCIX-UHFFFAOYSA-N
TotalMolweight	315.308
Molweight	315.308
MonoisotopicMass	315.031377
CLogP	0.8067
CLogS	-5.946
H Acceptors	7
H Donors	1
TotalSurfaceArea	221.55
Relative PSA	0.4167
PolarSurfaceArea	122.22
Druglikeness	-1.1498
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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