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MCULE-4551105284
Compound
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- InChI:
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1
MCULE-3340440615
- Component type: Main
-
4
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4551105284.sdf |
| SMILES | MCULE-4551105284.smiles |
| Standard InChI | MCULE-4551105284.inchi |
| InChIKey | MCULE-4551105284.txt |
| Property | Value |
|---|---|
| Components | 5 |
| Mass | 736.769 |
| logP | 11.0362 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 27 |
| PSA | 117.18 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 204.8468 |
| Atoms | 102 |
| Rings | 2 |
| Heavy atoms | 44 |
| Hydrogen atoms | 58 |
| Heteroatoms | 12 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
