(5Z)-5-[(3-nitrophenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H14N2O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(3-nitrophenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(3-nitrophenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H14N2O4S2 |
| Smiles | [O-][N+](c1cccc(/C=C(/C(N2CC3OCCC3)=O)\SC2=S)c1)=O |
| InChI | InChI=1S/C15H14N2O4S2/c18-14-13(8-10-3-1-4-11(7-10)17(19)20)23-15(22)16(14)9-12-5-2-6-21-12/h1,3-4,7-8,12H,2,5-6,9H2/t12-/m1/s1 |
| InChIK | PIMKXQWRYARPOD-GFCCVEGCSA-N |
| TotalMolweight | 350.418 |
| Molweight | 350.418 |
| MonoisotopicMass | 350.039498 |
| CLogP | 0.7753 |
| CLogS | -4.283 |
| H Acceptors | 6 |
| TotalSurfaceArea | 250.43 |
| Relative PSA | 0.4093 |
| PolarSurfaceArea | 132.75 |
| Druglikeness | -2.1859 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-5-[(3-nitrophenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(3-nitrophenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off