| MolName | N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide |
| MolecularFormula | C25H22N6O |
| Smiles | O=C(c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)N/N=C(/CCC1)\c2c1cccc2 |
| InChI | InChI=1S/C25H22N6O/c32-25(28-26-23-12-6-10-19-7-4-5-11-22(19)23)21-15-13-18(14-16-21)17-31-29-24(27-30-31)20-8-2-1-3-9-20/h1-5,7-9,11,13-16H,6,10,12,17H2,(H,28,32) |
| InChIK | FYJSPEXKJOVCMX-UHFFFAOYSA-N |
| TotalMolweight | 422.491 |
| Molweight | 422.491 |
| MonoisotopicMass | 422.185509 |
| CLogP | 5.0485 |
| CLogS | -6.061 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 331.74 |
| Relative PSA | 0.22846 |
| PolarSurfaceArea | 85.06 |
| Druglikeness | -2.952 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide | 2 - N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide