(Z)-1-phenyl-N-(1,2,4-triazol-1-yl)methanimine
Formula:C9H8N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-phenyl-N-(1,2,4-triazol-1-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-phenyl-N-(1,2,4-triazol-1-yl)methanimine |
| MolecularFormula | C9H8N4 |
| Smiles | C(c1ccccc1)=N\n1ncnc1 |
| InChI | InChI=1S/C9H8N4/c1-2-4-9(5-3-1)6-11-13-8-10-7-12-13/h1-8H |
| InChIK | CXYNAVGOSKIZJQ-UHFFFAOYSA-N |
| TotalMolweight | 172.191 |
| Molweight | 172.191 |
| MonoisotopicMass | 172.074896 |
| CLogP | 1.6808 |
| CLogS | -3.253 |
| H Acceptors | 4 |
| TotalSurfaceArea | 144.5 |
| Relative PSA | 0.27903 |
| PolarSurfaceArea | 43.07 |
| Druglikeness | 3.5385 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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