| MolName | N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-chlorobenzamide |
| MolecularFormula | C12H10N5OCl |
| Smiles | N/C(/c1nccnc1)=N/NC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C12H10ClN5O/c13-9-4-2-1-3-8(9)12(19)18-17-11(14)10-7-15-5-6-16-10/h1-7H,(H2,14,17)(H,18,19) |
| InChIK | ACXCWRGZGZTJOI-UHFFFAOYSA-N |
| TotalMolweight | 275.698 |
| Molweight | 275.698 |
| MonoisotopicMass | 275.057387 |
| CLogP | 1.0138 |
| CLogS | -2.656 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 206.66 |
| Relative PSA | 0.3543 |
| PolarSurfaceArea | 93.26 |
| Druglikeness | 3.1057 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-chlorobenzamide | 2 - N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-chlorobenzamide