N-[(Z)-benzylideneamino]adamantane-1-carboxamide
Formula:C18H22N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]adamantane-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]adamantane-1-carboxamide |
| MolecularFormula | C18H22N2O |
| Smiles | O=C(C1(CC(C2)C3)CC3CC2C1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C18H22N2O/c21-17(20-19-12-13-4-2-1-3-5-13)18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,12,14-16H,6-11H2,(H,20,21) |
| InChIK | KOALTEXDCASFCU-UHFFFAOYSA-N |
| TotalMolweight | 282.386 |
| Molweight | 282.386 |
| MonoisotopicMass | 282.173213 |
| CLogP | 3.6549 |
| CLogS | -4.706 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 217.2 |
| Relative PSA | 0.16579 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 5.2464 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 8 |
| StereoCon |
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