N-[(Z)-naphthalen-1-ylmethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Formula:C20H14N6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is not a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine |
| MolecularFormula | C20H14N6 |
| Smiles | C(c1cccc2ccccc12)=N\Nc(c1c2cccc1)nn1c2nnc1 |
| InChI | InChI=1S/C20H14N6/c1-2-9-16-14(6-1)7-5-8-15(16)12-21-23-19-17-10-3-4-11-18(17)20-24-22-13-26(20)25-19/h1-13H,(H,23,25) |
| InChIK | PZWHFELNCDUKFY-UHFFFAOYSA-N |
| TotalMolweight | 338.373 |
| Molweight | 338.373 |
| MonoisotopicMass | 338.127994 |
| CLogP | 5.0935 |
| CLogS | -6.843 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 259.97 |
| Relative PSA | 0.24553 |
| PolarSurfaceArea | 67.47 |
| Druglikeness | 4.3009 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 23 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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