N-[(Z)-(2,6-dichlorophenyl)methylideneamino]adamantane-1-carboxamide
Formula:C18H20N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]adamantane-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]adamantane-1-carboxamide |
| MolecularFormula | C18H20N2OCl2 |
| Smiles | O=C(C1(CC(C2)C3)CC3CC2C1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C18H20Cl2N2O/c19-15-2-1-3-16(20)14(15)10-21-22-17(23)18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,10-13H,4-9H2,(H,22,23) |
| InChIK | JMNPYWQUGKAFJR-UHFFFAOYSA-N |
| TotalMolweight | 351.276 |
| Molweight | 351.276 |
| MonoisotopicMass | 350.095267 |
| CLogP | 4.8669 |
| CLogS | -6.178 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 248.04 |
| Relative PSA | 0.14518 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 5.2659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 9 |
| StereoCon |
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1 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]adamantane-1-carboxamide | 2 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]adamantane-1-carboxamide
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