| MolName | 1-N,3-N-bis[(Z)-benzylideneamino]adamantane-1,3-dicarboxamide |
| MolecularFormula | C26H28N4O2 |
| Smiles | O=C(C(CC(C1)C2)(CC1C1)CC12C(N/N=C\c1ccccc1)=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C26H28N4O2/c31-23(29-27-16-19-7-3-1-4-8-19)25-12-21-11-22(13-25)15-26(14-21,18-25)24(32)30-28-17-20-9-5-2-6-10-20/h1-10,16-17,21-22H,11-15,18H2,(H,29,31)(H,30,32) |
| InChIK | ZDPMMBFIGKYFED-UHFFFAOYSA-N |
| TotalMolweight | 428.534 |
| Molweight | 428.534 |
| MonoisotopicMass | 428.221226 |
| CLogP | 4.767 |
| CLogS | -6.45 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 328.84 |
| Relative PSA | 0.21901 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | 5.2464 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 18 |
| StereoCon |
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1 - 1-N,3-N-bis[(Z)-benzylideneamino]adamantane-1,3-dicarboxamide | 2 - 1-N,3-N-bis[(Z)-benzylideneamino]adamantane-1,3-dicarboxamide