| MolName | N-[2-[(2Z)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-chlorobenzamide |
| MolecularFormula | C23H19N3O3BrCl |
| Smiles | O=C(CNC(c(cccc1)c1Cl)=O)N/N=C\c(cccc1)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C23H19BrClN3O3/c24-18-11-9-16(10-12-18)15-31-21-8-4-1-5-17(21)13-27-28-22(29)14-26-23(30)19-6-2-3-7-20(19)25/h1-13H,14-15H2,(H,26,30)(H,28,29) |
| InChIK | PQOLZNRUDWSOFO-UHFFFAOYSA-N |
| TotalMolweight | 500.779 |
| Molweight | 500.779 |
| MonoisotopicMass | 499.02983 |
| CLogP | 4.9646 |
| CLogS | -6.399 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 347.53 |
| Relative PSA | 0.20289 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.2744 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-chlorobenzamide | 2 - N-[2-[(2Z)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-chlorobenzamide