(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
Molecular Formula : C14H8N2O5S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
MolName : (5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione |
MolecularFormula : C14H8N2O5S |
Smiles : [O-][N+](c(cc1)ccc1-c1ccc(/C=C(/C(N2)=O)\SC2=O)o1)=O |
InChI : InChI=1S/C14H8N2O5S/c17-13-12(22-14(18)15-13)7-10-5-6-11(21-10)8-1-3-9(4-2-8)16(19)20/h1-7H,(H,15,17,18) |
InChIK : JDLCFBRHUOWHRN-UHFFFAOYSA-N |
TotalMolweight : 316.293 |
Molweight : 316.293 |
MonoisotopicMass : 316.015393 |
CLogP : 1.5067 |
CLogS : -5.069 |
H Acceptors : 7 |
H Donors : 1 |
TotalSurfaceArea : 222.04 |
Relative PSA : 0.44839 |
PolarSurfaceArea : 130.43 |
Druglikeness : -1.075 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; limit! methylene-thiazolidine-2,4-dione |
Shape Index : 0.63636 |
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 |
AcidicOxygens : 1 |
StereoCon : |