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MCULE-3180416620
Compound
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- InChIKey:
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- InChI:
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1
MCULE-3744063051
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3180416620.sdf |
| SMILES | MCULE-3180416620.smiles |
| Standard InChI | MCULE-3180416620.inchi |
| InChIKey | MCULE-3180416620.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 350.198 |
| logP | 1.2968 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 112.01 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 88.5441 |
| Atoms | 39 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 17 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
