[4-bromo-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C22H17N2O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C22H17N2O3Br |
| Smiles | O=C(Cc1ccccc1)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C22H17BrN2O3/c23-19-11-12-20(28-22(27)17-9-5-2-6-10-17)18(14-19)15-24-25-21(26)13-16-7-3-1-4-8-16/h1-12,14-15H,13H2,(H,25,26) |
| InChIK | CBEQXDDPQFBMSL-UHFFFAOYSA-N |
| TotalMolweight | 437.292 |
| Molweight | 437.292 |
| MonoisotopicMass | 436.042254 |
| CLogP | 5.3554 |
| CLogS | -5.99 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 306.89 |
| Relative PSA | 0.19241 |
| 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 | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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