| MolName | [2,4-dibromo-6-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate |
| MolecularFormula | C23H15N3O4Br3F |
| Smiles | O=C(CNC(c1cc(F)ccc1)=O)N/N=C\c1cc(Br)cc(Br)c1OC(c(cccc1)c1Br)=O |
| InChI | InChI=1S/C23H15Br3FN3O4/c24-15-8-14(21(19(26)10-15)34-23(33)17-6-1-2-7-18(17)25)11-29-30-20(31)12-28-22(32)13-4-3-5-16(27)9-13/h1-11H,12H2,(H,28,32)(H,30,31) |
| InChIK | QQAYAUSHXMAFIN-UHFFFAOYSA-N |
| TotalMolweight | 656.099 |
| Molweight | 656.099 |
| MonoisotopicMass | 652.859668 |
| CLogP | 5.9922 |
| CLogS | -7.774 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 379.71 |
| Relative PSA | 0.22004 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 1.9231 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2,4-dibromo-6-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate | 2 - [2,4-dibromo-6-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate