N-[(Z)-(4-bromophenyl)methylideneamino]adamantane-1-carboxamide
Formula:C18H21N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]adamantane-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]adamantane-1-carboxamide |
| MolecularFormula | C18H21N2OBr |
| Smiles | O=C(C1(CC(C2)C3)CC3CC2C1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C18H21BrN2O/c19-16-3-1-12(2-4-16)11-20-21-17(22)18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,11,13-15H,5-10H2,(H,21,22) |
| InChIK | KUZHHCABIKYWNH-UHFFFAOYSA-N |
| TotalMolweight | 361.282 |
| Molweight | 361.282 |
| MonoisotopicMass | 360.083724 |
| CLogP | 4.3801 |
| CLogS | -5.54 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 235.83 |
| Relative PSA | 0.15269 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.4564 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 8 |
| StereoCon |
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