3-[(Z)-1,2,4-triazol-1-yliminomethyl]phenol
Formula:C9H8N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-1,2,4-triazol-1-yliminomethyl]phenol is a drug-like molecule.
| MolName | 3-[(Z)-1,2,4-triazol-1-yliminomethyl]phenol |
| MolecularFormula | C9H8N4O |
| Smiles | Oc1cc(/C=N\n2ncnc2)ccc1 |
| InChI | InChI=1S/C9H8N4O/c14-9-3-1-2-8(4-9)5-11-13-7-10-6-12-13/h1-7,14H |
| InChIK | ZSPPZRPEPPSVDW-UHFFFAOYSA-N |
| TotalMolweight | 188.19 |
| Molweight | 188.19 |
| MonoisotopicMass | 188.069811 |
| CLogP | 1.3351 |
| CLogS | -2.957 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 150.85 |
| Relative PSA | 0.35413 |
| PolarSurfaceArea | 63.3 |
| Druglikeness | 3.2686 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(Z)-1,2,4-triazol-1-yliminomethyl]phenol | 2 - 3-[(Z)-1,2,4-triazol-1-yliminomethyl]phenol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off