3-[(3Z)-3-hydroxyiminopropyl]-1,3-benzothiazole-2-thione
Formula:C10H10N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(3Z)-3-hydroxyiminopropyl]-1,3-benzothiazole-2-thione is a drug-like molecule.
| MolName | 3-[(3Z)-3-hydroxyiminopropyl]-1,3-benzothiazole-2-thione |
| MolecularFormula | C10H10N2OS2 |
| Smiles | O/N=C\CCN(c(cccc1)c1S1)C1=S |
| InChI | InChI=1S/C10H10N2OS2/c13-11-6-3-7-12-8-4-1-2-5-9(8)15-10(12)14/h1-2,4-6,13H,3,7H2 |
| InChIK | MEYBFSNRQXGONK-UHFFFAOYSA-N |
| TotalMolweight | 238.334 |
| Molweight | 238.334 |
| MonoisotopicMass | 238.023453 |
| CLogP | 1.0208 |
| CLogS | -3.997 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 178.89 |
| Relative PSA | 0.41171 |
| PolarSurfaceArea | 93.22 |
| Druglikeness | 1.8239 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(3Z)-3-hydroxyiminopropyl]-1,3-benzothiazole-2-thione | 2 - 3-[(3Z)-3-hydroxyiminopropyl]-1,3-benzothiazole-2-thione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off