4-[(Z)-1,2,4-triazol-4-yliminomethyl]benzonitrile
Formula:C10H7N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-1,2,4-triazol-4-yliminomethyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(Z)-1,2,4-triazol-4-yliminomethyl]benzonitrile |
| MolecularFormula | C10H7N5 |
| Smiles | N#Cc1ccc(/C=N\n2cnnc2)cc1 |
| InChI | InChI=1S/C10H7N5/c11-5-9-1-3-10(4-2-9)6-14-15-7-12-13-8-15/h1-4,6-8H |
| InChIK | UUWAPZBXKSBICU-UHFFFAOYSA-N |
| TotalMolweight | 197.201 |
| Molweight | 197.201 |
| MonoisotopicMass | 197.070145 |
| CLogP | 1.0639 |
| CLogS | -5.083 |
| H Acceptors | 5 |
| TotalSurfaceArea | 166.21 |
| Relative PSA | 0.32417 |
| PolarSurfaceArea | 66.86 |
| Druglikeness | -0.4094 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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