| MolName | N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C21H17N2O3Br |
| Smiles | Oc(cccc1)c1C(N/N=C\c(cccc1)c1OCc1cccc(Br)c1)=O |
| InChI | InChI=1S/C21H17BrN2O3/c22-17-8-5-6-15(12-17)14-27-20-11-4-1-7-16(20)13-23-24-21(26)18-9-2-3-10-19(18)25/h1-13,25H,14H2,(H,24,26) |
| InChIK | IZQUEONPNQCXOA-UHFFFAOYSA-N |
| TotalMolweight | 425.281 |
| Molweight | 425.281 |
| MonoisotopicMass | 424.042254 |
| CLogP | 4.9292 |
| CLogS | -5.6 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 295.49 |
| Relative PSA | 0.20004 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 2.2144 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide | 2 - N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxybenzamide