| MolName | (Z)-1-(3-nitrophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]methanimine |
| MolecularFormula | C17H13N3O3S |
| Smiles | [O-][N+](c1cccc(/C=N\OCc2csc(-c3ccccc3)n2)c1)=O |
| InChI | InChI=1S/C17H13N3O3S/c21-20(22)16-8-4-5-13(9-16)10-18-23-11-15-12-24-17(19-15)14-6-2-1-3-7-14/h1-10,12H,11H2 |
| InChIK | ILXLYJFZPLNBJH-UHFFFAOYSA-N |
| TotalMolweight | 339.374 |
| Molweight | 339.374 |
| MonoisotopicMass | 339.067762 |
| CLogP | 3.6232 |
| CLogS | -4.453 |
| H Acceptors | 6 |
| TotalSurfaceArea | 259.67 |
| Relative PSA | 0.32064 |
| PolarSurfaceArea | 108.54 |
| Druglikeness | -1.8547 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-(3-nitrophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]methanimine | 2 - (Z)-1-(3-nitrophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]methanimine