3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C12H10N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C12H10N2O3S2 |
| Smiles | O=C(CSC1=S)N1/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C12H10N2O3S2/c15-11-7-19-12(18)14(11)13-6-8-1-2-9-10(5-8)17-4-3-16-9/h1-2,5-6H,3-4,7H2 |
| InChIK | SOTLYXYHEFGMCR-UHFFFAOYSA-N |
| TotalMolweight | 294.354 |
| Molweight | 294.354 |
| MonoisotopicMass | 294.013283 |
| CLogP | 0.9206 |
| CLogS | -3.447 |
| H Acceptors | 5 |
| TotalSurfaceArea | 210.55 |
| Relative PSA | 0.4445 |
| PolarSurfaceArea | 108.52 |
| Druglikeness | -3.3733 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - 3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off