N-[(Z)-anthracen-9-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine
Formula:C26H18N6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-anthracen-9-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine |
| MolecularFormula | C26H18N6 |
| Smiles | C(c1c(cccc2)c2cc2ccccc12)=N\Nc1nnnn1-c1cccc2ccccc12 |
| InChI | InChI=1S/C26H18N6/c1-6-14-23-18(8-1)11-7-15-25(23)32-26(29-30-31-32)28-27-17-24-21-12-4-2-9-19(21)16-20-10-3-5-13-22(20)24/h1-17H,(H,28,29,31) |
| InChIK | DNTBNPFTCCGQKI-UHFFFAOYSA-N |
| TotalMolweight | 414.471 |
| Molweight | 414.471 |
| MonoisotopicMass | 414.159294 |
| CLogP | 7.6922 |
| CLogS | -8.537 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 318.28 |
| Relative PSA | 0.19715 |
| PolarSurfaceArea | 67.99 |
| Druglikeness | 2.27 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 29 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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