[4-bromo-2-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C21H13N2O3BrCl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C21H13N2O3BrCl2 |
| Smiles | O=C(c(cc1)cc(Cl)c1Cl)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C21H13BrCl2N2O3/c22-16-7-9-19(29-21(28)13-4-2-1-3-5-13)15(10-16)12-25-26-20(27)14-6-8-17(23)18(24)11-14/h1-12H,(H,26,27) |
| InChIK | VSAZCLXUUCXSTL-UHFFFAOYSA-N |
| TotalMolweight | 492.155 |
| Molweight | 492.155 |
| MonoisotopicMass | 489.948658 |
| CLogP | 6.5693 |
| CLogS | -7.497 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 323.97 |
| Relative PSA | 0.18227 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 2.2516 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 - [4-bromo-2-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-bromo-2-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
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