| MolName | [2,4-dibromo-6-[(Z)-[[2-[(4-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate |
| MolecularFormula | C23H15N3O4Br3Cl |
| Smiles | O=C(CNC(c(cc1)ccc1Cl)=O)N/N=C\c1cc(Br)cc(Br)c1OC(c1cc(Br)ccc1)=O |
| InChI | InChI=1S/C23H15Br3ClN3O4/c24-16-3-1-2-14(8-16)23(33)34-21-15(9-17(25)10-19(21)26)11-29-30-20(31)12-28-22(32)13-4-6-18(27)7-5-13/h1-11H,12H2,(H,28,32)(H,30,31) |
| InChIK | KFSQNBTYNVBWMZ-UHFFFAOYSA-N |
| TotalMolweight | 672.554 |
| Molweight | 672.554 |
| MonoisotopicMass | 668.830117 |
| CLogP | 6.4974 |
| CLogS | -8.196 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 388.78 |
| Relative PSA | 0.2149 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 3.3116 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| 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 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [2,4-dibromo-6-[(Z)-[[2-[(4-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate | 2 - [2,4-dibromo-6-[(Z)-[[2-[(4-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate