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MCULE-8889055645
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-8454783106
- Component type: Main
-
2
MCULE-6152801555
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8889055645.sdf |
| SMILES | MCULE-8889055645.smiles |
| Standard InChI | MCULE-8889055645.inchi |
| InChIKey | MCULE-8889055645.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 906.626 |
| logP | 5.3714 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 55.38 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 228.066 |
| Atoms | 98 |
| Rings | 7 |
| Heavy atoms | 50 |
| Hydrogen atoms | 48 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
