[(E)-[phenyl(pyridin-2-yl)methylidene]amino] adamantane-1-carboxylate
Formula:C23H24N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] adamantane-1-carboxylate is a drug-like molecule.
| MolName | [(E)-[phenyl(pyridin-2-yl)methylidene]amino] adamantane-1-carboxylate |
| MolecularFormula | C23H24N2O2 |
| Smiles | O=C(C1(CC(C2)C3)CC3CC2C1)O/N=C(\c1ccccc1)/c1ncccc1 |
| InChI | InChI=1S/C23H24N2O2/c26-22(23-13-16-10-17(14-23)12-18(11-16)15-23)27-25-21(19-6-2-1-3-7-19)20-8-4-5-9-24-20/h1-9,16-18H,10-15H2 |
| InChIK | ZYDOYLYHLBOKCW-UHFFFAOYSA-N |
| TotalMolweight | 360.456 |
| Molweight | 360.456 |
| MonoisotopicMass | 360.183778 |
| CLogP | 4.6212 |
| CLogS | -5.761 |
| H Acceptors | 4 |
| TotalSurfaceArea | 272.47 |
| Relative PSA | 0.16706 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -1.8875 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[phenyl(pyridin-2-yl)methylidene]amino] adamantane-1-carboxylate | 2 - [(E)-[phenyl(pyridin-2-yl)methylidene]amino] adamantane-1-carboxylate
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