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

Formula:C12H8N4O2S Mutagenic:high Tumorigenic:low Reproductive Effective:none (5Z)-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C12H8N4O2S
Smiles	O=C(/C(/S1)=C/c(cc2)ccc2-n2ncnc2)NC1=O
InChI	InChI=1S/C12H8N4O2S/c17-11-10(19-12(18)15-11)5-8-1-3-9(4-2-8)16-7-13-6-14-16/h1-7H,(H,15,17,18)
InChIK	PIDMTSLWEQCJKK-UHFFFAOYSA-N
TotalMolweight	272.288
Molweight	272.288
MonoisotopicMass	272.036796
CLogP	0.5345
CLogS	-3.261
H Acceptors	6
H Donors	1
TotalSurfaceArea	195.4
Relative PSA	0.42907
PolarSurfaceArea	102.18
Druglikeness	5.2688
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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