N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]adamantane-1-carboxamide
Formula:C18H20N2OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]adamantane-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]adamantane-1-carboxamide |
| MolecularFormula | C18H20N2OBrF |
| Smiles | O=C(C1(CC(C2)C3)CC3CC2C1)N/N=C\c(cc(cc1)Br)c1F |
| InChI | InChI=1S/C18H20BrFN2O/c19-15-1-2-16(20)14(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 | QBAYIVLRDFYCPD-UHFFFAOYSA-N |
| TotalMolweight | 379.272 |
| Molweight | 379.272 |
| MonoisotopicMass | 378.074302 |
| CLogP | 4.4809 |
| CLogS | -5.854 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 242.18 |
| Relative PSA | 0.14869 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.1164 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| 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 | 6 |
| StereoCon |
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