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MCULE-7191863962
Compound
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- InChIKey:
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- InChI:
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MCULE-2018596361
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7191863962.sdf |
| SMILES | MCULE-7191863962.smiles |
| Standard InChI | MCULE-7191863962.inchi |
| InChIKey | MCULE-7191863962.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-502576700 | 95 | As a main component | by synthesis |
| P-852509671 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 729.783 |
| logP | 9.1683 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 10 |
| PSA | 193.62 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 188.1002 |
| Atoms | 79 |
| Rings | 5 |
| Heavy atoms | 45 |
| Hydrogen atoms | 34 |
| Heteroatoms | 14 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
