| MolName | (Z)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-(3-nitrophenyl)methanimine |
| MolecularFormula | C11H8N3O3ClS |
| Smiles | [O-][N+](c1cccc(/C=N\OCc(s2)cnc2Cl)c1)=O |
| InChI | InChI=1S/C11H8ClN3O3S/c12-11-13-6-10(19-11)7-18-14-5-8-2-1-3-9(4-8)15(16)17/h1-6H,7H2 |
| InChIK | ZRNOUTWLQYDLOK-UHFFFAOYSA-N |
| TotalMolweight | 297.722 |
| Molweight | 297.722 |
| MonoisotopicMass | 296.997489 |
| CLogP | 2.9271 |
| CLogS | -4.55 |
| H Acceptors | 6 |
| TotalSurfaceArea | 215.33 |
| Relative PSA | 0.38666 |
| PolarSurfaceArea | 108.54 |
| Druglikeness | -3.1656 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-(3-nitrophenyl)methanimine | 2 - (Z)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-(3-nitrophenyl)methanimine