[2-benzoyloxy-2-[(3E,4Z)-5-oxo-3,4-bis(phenylhydrazinylidene)oxolan-2-yl]ethyl] benzoate
Formula:C32H26N4O6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
[2-benzoyloxy-2-[(3E,4Z)-5-oxo-3,4-bis(phenylhydrazinylidene)oxolan-2-yl]ethyl] benzoate is not a drug-like molecule.
| MolName | [2-benzoyloxy-2-[(3E,4Z)-5-oxo-3,4-bis(phenylhydrazinylidene)oxolan-2-yl]ethyl] benzoate |
| MolecularFormula | C32H26N4O6 |
| Smiles | O=C(c1ccccc1)OCC(C(/C(/C1=N/Nc2ccccc2)=N/Nc2ccccc2)OC1=O)OC(c1ccccc1)=O |
| InChI | InChI=1S/C32H26N4O6/c37-30(22-13-5-1-6-14-22)40-21-26(41-31(38)23-15-7-2-8-16-23)29-27(35-33-24-17-9-3-10-18-24)28(32(39)42-29)36-34-25-19-11-4-12-20-25/h1-20,26,29,33-34H,21H2 |
| InChIK | NBOVNQJKOQSQFE-UHFFFAOYSA-N |
| TotalMolweight | 562.58 |
| Molweight | 562.58 |
| MonoisotopicMass | 562.185236 |
| CLogP | 7.7464 |
| CLogS | -5.597 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 429.91 |
| Relative PSA | 0.26764 |
| PolarSurfaceArea | 127.68 |
| Druglikeness | 1.9502 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.40476 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 2 |
| Rotatable Bond | 12 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| StereoCon | unknown chirality |
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1 - [2-benzoyloxy-2-[(3E,4Z)-5-oxo-3,4-bis(phenylhydrazinylidene)oxolan-2-yl]ethyl] benzoate | 2 - [2-benzoyloxy-2-[(3E,4Z)-5-oxo-3,4-bis(phenylhydrazinylidene)oxolan-2-yl]ethyl] benzoate
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