[4-bromo-2-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C28H21N2O5Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C28H21N2O5Br |
| Smiles | O=C(C(Oc1ccccc1)Oc1ccccc1)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C28H21BrN2O5/c29-22-16-17-25(36-27(33)20-10-4-1-5-11-20)21(18-22)19-30-31-26(32)28(34-23-12-6-2-7-13-23)35-24-14-8-3-9-15-24/h1-19,28H,(H,31,32) |
| InChIK | DIDKVRTUWGDGMS-UHFFFAOYSA-N |
| TotalMolweight | 545.388 |
| Molweight | 545.388 |
| MonoisotopicMass | 544.063384 |
| CLogP | 6.1699 |
| CLogS | -7.076 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 385.39 |
| Relative PSA | 0.20512 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | 2.4535 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 11 |
| StereoCon |
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