[4-bromo-2-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C21H14N2O3BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C21H14N2O3BrCl |
| Smiles | O=C(c(cccc1)c1Cl)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C21H14BrClN2O3/c22-16-10-11-19(28-21(27)14-6-2-1-3-7-14)15(12-16)13-24-25-20(26)17-8-4-5-9-18(17)23/h1-13H,(H,25,26) |
| InChIK | BQQYUNFOCUDXCK-UHFFFAOYSA-N |
| TotalMolweight | 457.71 |
| Molweight | 457.71 |
| MonoisotopicMass | 455.987631 |
| CLogP | 5.9633 |
| CLogS | -6.761 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 308.55 |
| Relative PSA | 0.19138 |
| 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 | 0.57143 |
| 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 | 2 |
| StereoCon |
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