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MCULE-1651274645
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-1844200613
- Component type: Main
-
1
MCULE-2746019379
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1651274645.sdf |
| SMILES | MCULE-1651274645.smiles |
| Standard InChI | MCULE-1651274645.inchi |
| InChIKey | MCULE-1651274645.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 491.909 |
| logP | 8.0281 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 13.14 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 104.539 |
| Atoms | 39 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 13 |
| Heteroatoms | 8 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| 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 |
