N-(1-adamantyl)-2-[4-(nitrosomethylidene)pyridin-1-yl]acetamide
Formula:C18H23N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-(1-adamantyl)-2-[4-(nitrosomethylidene)pyridin-1-yl]acetamide is a drug-like molecule.
| MolName | N-(1-adamantyl)-2-[4-(nitrosomethylidene)pyridin-1-yl]acetamide |
| MolecularFormula | C18H23N3O2 |
| Smiles | O=C(CN(C=C1)C=CC1=CN=O)NC1(CC(C2)C3)CC3CC2C1 |
| InChI | InChI=1S/C18H23N3O2/c22-17(12-21-3-1-13(2-4-21)11-19-23)20-18-8-14-5-15(9-18)7-16(6-14)10-18/h1-4,11,14-16H,5-10,12H2,(H,20,22) |
| InChIK | UCFUEPSCWNYQIP-UHFFFAOYSA-N |
| TotalMolweight | 313.4 |
| Molweight | 313.4 |
| MonoisotopicMass | 313.179027 |
| CLogP | 0.6068 |
| CLogS | -3.293 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 238.75 |
| Relative PSA | 0.22031 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 3.2483 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Sp3Atoms | 11 |
| Symmetricatoms | 8 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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