N-[(Z)-(2,4-difluorophenyl)methylideneamino]adamantane-1-carboxamide
Formula:C18H20N2OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-difluorophenyl)methylideneamino]adamantane-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-difluorophenyl)methylideneamino]adamantane-1-carboxamide |
| MolecularFormula | C18H20N2OF2 |
| Smiles | O=C(C1(CC(C2)C3)CC3CC2C1)N/N=C\c(ccc(F)c1)c1F |
| InChI | InChI=1S/C18H20F2N2O/c19-15-2-1-14(16(20)6-15)10-21-22-17(23)18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,10-13H,3-5,7-9H2,(H,22,23) |
| InChIK | OHZMDFQNSYHHNP-UHFFFAOYSA-N |
| TotalMolweight | 318.366 |
| Molweight | 318.366 |
| MonoisotopicMass | 318.154369 |
| CLogP | 3.8565 |
| CLogS | -5.334 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 229.9 |
| Relative PSA | 0.15663 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.9064 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| 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 | 6 |
| StereoCon |
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