[3-benzoyloxy-4-[(Z)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C35H26N2O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-benzoyloxy-4-[(Z)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [3-benzoyloxy-4-[(Z)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C35H26N2O6 |
| Smiles | O=C(c(cccc1)c1OCc1ccccc1)N/N=C\c(ccc(OC(c1ccccc1)=O)c1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C35H26N2O6/c38-33(30-18-10-11-19-31(30)41-24-25-12-4-1-5-13-25)37-36-23-28-20-21-29(42-34(39)26-14-6-2-7-15-26)22-32(28)43-35(40)27-16-8-3-9-17-27/h1-23H,24H2,(H,37,38) |
| InChIK | XGDGNGVODPKAML-UHFFFAOYSA-N |
| TotalMolweight | 570.599 |
| Molweight | 570.599 |
| MonoisotopicMass | 570.179088 |
| CLogP | 7.4107 |
| CLogS | -8.002 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 445.53 |
| Relative PSA | 0.2067 |
| PolarSurfaceArea | 103.29 |
| Druglikeness | 3.7857 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51163 |
| Fragments | 1 |
| Non HAtoms | 43 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 12 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - [3-benzoyloxy-4-[(Z)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate | 2 - [3-benzoyloxy-4-[(Z)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
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