N-(1-adamantyl)-2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetamide
Formula:C18H24N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(1-adamantyl)-2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetamide is a drug-like molecule.
| MolName | N-(1-adamantyl)-2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetamide |
| MolecularFormula | C18H24N3O2 |
| Smiles | O/N=C\c1ccc[n+](CC(NC2(CC(C3)C4)CC4CC3C2)=O)c1 |
| InChI | InChI=1S/C18H23N3O2/c22-17(12-21-3-1-2-13(11-21)10-19-23)20-18-7-14-4-15(8-18)6-16(5-14)9-18/h1-3,10-11,14-16H,4-9,12H2,(H-,20,22,23)/p+1 |
| InChIK | JBXOTRYLXRTYHJ-UHFFFAOYSA-O |
| TotalMolweight | 314.408 |
| Molweight | 314.408 |
| MonoisotopicMass | 314.186852 |
| CLogP | -1.7016 |
| CLogS | -2.99 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 234.61 |
| Relative PSA | 0.22109 |
| PolarSurfaceArea | 65.57 |
| Druglikeness | 2.2354 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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