3-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol
Formula:C12H11N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol is a drug-like molecule.
| MolName | 3-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol |
| MolecularFormula | C12H11N3O |
| Smiles | Oc1cc(/C=N\Nc2ncccc2)ccc1 |
| InChI | InChI=1S/C12H11N3O/c16-11-5-3-4-10(8-11)9-14-15-12-6-1-2-7-13-12/h1-9,16H,(H,13,15) |
| InChIK | MOSGOQDBMKABII-UHFFFAOYSA-N |
| TotalMolweight | 213.239 |
| Molweight | 213.239 |
| MonoisotopicMass | 213.090212 |
| CLogP | 3.8457 |
| CLogS | -2.583 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 174.35 |
| Relative PSA | 0.2698 |
| PolarSurfaceArea | 57.51 |
| Druglikeness | 2.1702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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