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MCULE-9848009950
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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MCULE-1651136761
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9848009950.sdf |
| SMILES | MCULE-9848009950.smiles |
| Standard InChI | MCULE-9848009950.inchi |
| InChIKey | MCULE-9848009950.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 710.821 |
| logP | 4.9488 |
| H-bond acceptors | 14 |
| H-bond donors | 4 |
| Rotatable bonds | 15 |
| PSA | 174.64 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 201.1848 |
| Atoms | 98 |
| Rings | 5 |
| Heavy atoms | 52 |
| Hydrogen atoms | 46 |
| Heteroatoms | 14 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
