[(E)-[amino(pyridin-2-yl)methylidene]amino] adamantane-1-carboxylate
Formula:C17H21N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(pyridin-2-yl)methylidene]amino] adamantane-1-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-2-yl)methylidene]amino] adamantane-1-carboxylate |
| MolecularFormula | C17H21N3O2 |
| Smiles | N/C(/c1ncccc1)=N/OC(C1(CC(C2)C3)CC3CC2C1)=O |
| InChI | InChI=1S/C17H21N3O2/c18-15(14-3-1-2-4-19-14)20-22-16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H2,18,20) |
| InChIK | KPYUXFOWGKOGGD-UHFFFAOYSA-N |
| TotalMolweight | 299.373 |
| Molweight | 299.373 |
| MonoisotopicMass | 299.163377 |
| CLogP | 2.5785 |
| CLogS | -3.75 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 221.23 |
| Relative PSA | 0.27478 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -1.797 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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