[2,4-dibromo-6-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Formula:C21H12N2O3Br4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2,4-dibromo-6-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate is not a drug-like molecule.
| MolName | [2,4-dibromo-6-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate |
| MolecularFormula | C21H12N2O3Br4 |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C/c1cc(Br)cc(Br)c1OC(c1cc(Br)ccc1)=O |
| InChI | InChI=1S/C21H12Br4N2O3/c22-15-6-4-12(5-7-15)20(28)27-26-11-14-9-17(24)10-18(25)19(14)30-21(29)13-2-1-3-16(23)8-13/h1-11H,(H,27,28) |
| InChIK | ZVCZANJOFHYWFI-UHFFFAOYSA-N |
| TotalMolweight | 659.953 |
| Molweight | 659.953 |
| MonoisotopicMass | 655.758137 |
| CLogP | 7.5329 |
| CLogS | -8.527 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 349.02 |
| Relative PSA | 0.16919 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 2.2076 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [2,4-dibromo-6-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate | 2 - [2,4-dibromo-6-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
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