N-[(Z)-naphthalen-1-ylmethylideneamino]pyridin-2-amine
Formula:C16H13N3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]pyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]pyridin-2-amine |
| MolecularFormula | C16H13N3 |
| Smiles | C(c1cccc2ccccc12)=N\Nc1ncccc1 |
| InChI | InChI=1S/C16H13N3/c1-2-9-15-13(6-1)7-5-8-14(15)12-18-19-16-10-3-4-11-17-16/h1-12H,(H,17,19) |
| InChIK | SPSSKLKCLJXGKN-UHFFFAOYSA-N |
| TotalMolweight | 247.3 |
| Molweight | 247.3 |
| MonoisotopicMass | 247.110947 |
| CLogP | 5.3858 |
| CLogS | -4.485 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 202.6 |
| Relative PSA | 0.16752 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.4225 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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