3-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
Formula:C8H8N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol is a drug-like molecule.
| MolName | 3-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol |
| MolecularFormula | C8H8N6O |
| Smiles | Oc1cc(/C=N\Nc2n[nH]nn2)ccc1 |
| InChI | InChI=1S/C8H8N6O/c15-7-3-1-2-6(4-7)5-9-10-8-11-13-14-12-8/h1-5,15H,(H2,10,11,12,13,14) |
| InChIK | OWRHIIZJXXBVHQ-UHFFFAOYSA-N |
| TotalMolweight | 204.193 |
| Molweight | 204.193 |
| MonoisotopicMass | 204.075959 |
| CLogP | 2.4881 |
| CLogS | -2.261 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 161.44 |
| Relative PSA | 0.51394 |
| PolarSurfaceArea | 99.08 |
| Druglikeness | -1.625 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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