[4-bromo-2-[(Z)-[(4-bromobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C21H14N2O3Br2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(4-bromobenzoyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(4-bromobenzoyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C21H14N2O3Br2 |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C21H14Br2N2O3/c22-17-8-6-14(7-9-17)20(26)25-24-13-16-12-18(23)10-11-19(16)28-21(27)15-4-2-1-3-5-15/h1-13H,(H,25,26) |
| InChIK | GHEWRFPXMYIFCI-UHFFFAOYSA-N |
| TotalMolweight | 502.161 |
| Molweight | 502.161 |
| MonoisotopicMass | 499.937115 |
| CLogP | 6.0825 |
| CLogS | -6.859 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 311.76 |
| Relative PSA | 0.18941 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 2.2076 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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