N-[(Z)-benzylideneamino]-1-naphthalen-1-yltetrazol-5-amine
Formula:C18H14N6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-benzylideneamino]-1-naphthalen-1-yltetrazol-5-amine is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-1-naphthalen-1-yltetrazol-5-amine |
| MolecularFormula | C18H14N6 |
| Smiles | C(c1ccccc1)=N\Nc1nnnn1-c1cccc2ccccc12 |
| InChI | InChI=1S/C18H14N6/c1-2-7-14(8-3-1)13-19-20-18-21-22-23-24(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-13H,(H,20,21,23) |
| InChIK | VCOMDCHAKLVVOA-UHFFFAOYSA-N |
| TotalMolweight | 314.351 |
| Molweight | 314.351 |
| MonoisotopicMass | 314.127994 |
| CLogP | 5.3034 |
| CLogS | -5.325 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 249.08 |
| Relative PSA | 0.25193 |
| PolarSurfaceArea | 67.99 |
| Druglikeness | 2.27 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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