3-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol
Formula:C16H12N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol is a drug-like molecule.
| MolName | 3-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol |
| MolecularFormula | C16H12N6O |
| Smiles | Oc1cc(/C=N\Nc(c2c3cccc2)nn2c3nnc2)ccc1 |
| InChI | InChI=1S/C16H12N6O/c23-12-5-3-4-11(8-12)9-17-19-15-13-6-1-2-7-14(13)16-20-18-10-22(16)21-15/h1-10,23H,(H,19,21) |
| InChIK | WUVOBSZNHZDHIR-UHFFFAOYSA-N |
| TotalMolweight | 304.312 |
| Molweight | 304.312 |
| MonoisotopicMass | 304.107259 |
| CLogP | 3.5534 |
| CLogS | -4.941 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 231.72 |
| Relative PSA | 0.332 |
| PolarSurfaceArea | 87.7 |
| Druglikeness | 4.1132 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol | 2 - 3-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol
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