[(E)-[amino(phenyl)methylidene]amino] adamantane-1-carboxylate
Formula:C18H22N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(phenyl)methylidene]amino] adamantane-1-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] adamantane-1-carboxylate |
| MolecularFormula | C18H22N2O2 |
| Smiles | N/C(/c1ccccc1)=N/OC(C1(CC(C2)C3)CC3CC2C1)=O |
| InChI | InChI=1S/C18H22N2O2/c19-16(15-4-2-1-3-5-15)20-22-17(21)18-9-12-6-13(10-18)8-14(7-12)11-18/h1-5,12-14H,6-11H2,(H2,19,20) |
| InChIK | WFYGWJXIPUGUJF-UHFFFAOYSA-N |
| TotalMolweight | 298.385 |
| Molweight | 298.385 |
| MonoisotopicMass | 298.168128 |
| CLogP | 3.5254 |
| CLogS | -4.521 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 222.47 |
| Relative PSA | 0.22394 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -1.797 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 8 |
| StereoCon |
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