| MolName | 2-bromo-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide |
| MolecularFormula | C17H15N2OBr |
| Smiles | O=C(c(cccc1)c1Br)N/N=C(\CCC1)/c2c1cccc2 |
| InChI | InChI=1S/C17H15BrN2O/c18-15-10-4-3-9-14(15)17(21)20-19-16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10H,5,7,11H2,(H,20,21) |
| InChIK | VJHFHVPVPMMMIR-UHFFFAOYSA-N |
| TotalMolweight | 343.223 |
| Molweight | 343.223 |
| MonoisotopicMass | 342.036774 |
| CLogP | 4.5995 |
| CLogS | -5.504 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 231.61 |
| Relative PSA | 0.15548 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -1.2974 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2-bromo-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide | 2 - 2-bromo-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide