N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]adamantane-1-carboxamide
Formula:C23H25N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]adamantane-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]adamantane-1-carboxamide |
| MolecularFormula | C23H25N3O |
| Smiles | O=C(C1(CC(C2)C3)CC3CC2C1)N/N=C(/c1ccccc1)\c1ccncc1 |
| InChI | InChI=1S/C23H25N3O/c27-22(23-13-16-10-17(14-23)12-18(11-16)15-23)26-25-21(19-4-2-1-3-5-19)20-6-8-24-9-7-20/h1-9,16-18H,10-15H2,(H,26,27) |
| InChIK | BWFCTECROIOFOF-UHFFFAOYSA-N |
| TotalMolweight | 359.472 |
| Molweight | 359.472 |
| MonoisotopicMass | 359.199762 |
| CLogP | 3.8507 |
| CLogS | -5.687 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 273.93 |
| Relative PSA | 0.1715 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.0848 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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