[4-bromo-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate
Formula:C22H16N2O3Br2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate |
| MolecularFormula | C22H16N2O3Br2 |
| Smiles | O=C(Cc1ccccc1)N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C22H16Br2N2O3/c23-18-8-6-16(7-9-18)22(28)29-20-11-10-19(24)13-17(20)14-25-26-21(27)12-15-4-2-1-3-5-15/h1-11,13-14H,12H2,(H,26,27) |
| InChIK | FEKWWGZUDHTBNP-UHFFFAOYSA-N |
| TotalMolweight | 516.188 |
| Molweight | 516.188 |
| MonoisotopicMass | 513.952765 |
| CLogP | 6.0806 |
| CLogS | -6.824 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 325.52 |
| Relative PSA | 0.1814 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 2.239 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [4-bromo-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate | 2 - [4-bromo-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate
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