[2,4-dibromo-6-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 3-bromobenzoate
Formula:C23H15N2O5Br3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2,4-dibromo-6-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 3-bromobenzoate is not a drug-like molecule.
| MolName | [2,4-dibromo-6-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 3-bromobenzoate |
| MolecularFormula | C23H15N2O5Br3 |
| Smiles | O=C(c(cc1)cc2c1OCCO2)N/N=C\c1cc(Br)cc(Br)c1OC(c1cc(Br)ccc1)=O |
| InChI | InChI=1S/C23H15Br3N2O5/c24-16-3-1-2-14(8-16)23(30)33-21-15(9-17(25)11-18(21)26)12-27-28-22(29)13-4-5-19-20(10-13)32-7-6-31-19/h1-5,8-12H,6-7H2,(H,28,29) |
| InChIK | SRICXWCKNPAWPY-UHFFFAOYSA-N |
| TotalMolweight | 639.093 |
| Molweight | 639.093 |
| MonoisotopicMass | 635.853106 |
| CLogP | 6.7865 |
| CLogS | -7.875 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 364.41 |
| Relative PSA | 0.21693 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | -4.8843 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - [2,4-dibromo-6-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 3-bromobenzoate | 2 - [2,4-dibromo-6-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 3-bromobenzoate
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