[3-benzoyloxy-4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C28H20N2O7
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[3-benzoyloxy-4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [3-benzoyloxy-4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C28H20N2O7 |
| Smiles | Oc(cc1)cc(O)c1C(N/N=C\c(ccc(OC(c1ccccc1)=O)c1)c1OC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C28H20N2O7/c31-21-12-14-23(24(32)15-21)26(33)30-29-17-20-11-13-22(36-27(34)18-7-3-1-4-8-18)16-25(20)37-28(35)19-9-5-2-6-10-19/h1-17,31-32H,(H,30,33) |
| InChIK | IZWFWLHSLPHLHX-UHFFFAOYSA-N |
| TotalMolweight | 496.474 |
| Molweight | 496.474 |
| MonoisotopicMass | 496.127053 |
| CLogP | 5.3712 |
| CLogS | -6.069 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 374.71 |
| Relative PSA | 0.289 |
| PolarSurfaceArea | 134.52 |
| Druglikeness | 3.9978 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [3-benzoyloxy-4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate | 2 - [3-benzoyloxy-4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
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