1-[(Z)-naphthalen-1-ylmethylideneamino]tetrazol-5-amine
Formula:C12H10N6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
1-[(Z)-naphthalen-1-ylmethylideneamino]tetrazol-5-amine is a drug-like molecule.
| MolName | 1-[(Z)-naphthalen-1-ylmethylideneamino]tetrazol-5-amine |
| MolecularFormula | C12H10N6 |
| Smiles | Nc1nnnn1/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C12H10N6/c13-12-15-16-17-18(12)14-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H2,13,15,17) |
| InChIK | YDGKBZFVLQKBPR-UHFFFAOYSA-N |
| TotalMolweight | 238.253 |
| Molweight | 238.253 |
| MonoisotopicMass | 238.096694 |
| CLogP | 2.4209 |
| CLogS | -5.393 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 186.38 |
| Relative PSA | 0.35712 |
| PolarSurfaceArea | 81.98 |
| Druglikeness | 1.3925 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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