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MCULE-6818202088
Compound
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- InChI:
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| Name | File |
|---|---|
| SDF | MCULE-6818202088.sdf |
| SMILES | MCULE-6818202088.smiles |
| Standard InChI | MCULE-6818202088.inchi |
| InChIKey | MCULE-6818202088.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489106133 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 875.785 |
| logP | 9.5228 |
| H-bond acceptors | 12 |
| H-bond donors | 6 |
| Rotatable bonds | 23 |
| PSA | 175.32 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 237.8554 |
| Atoms | 106 |
| Rings | 6 |
| Heavy atoms | 62 |
| Hydrogen atoms | 44 |
| Heteroatoms | 14 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
