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MCULE-2469268247-0
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-7629420137-2
- Component type: Main
-
3
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2469268247-0.sdf |
| SMILES | MCULE-2469268247-0.smiles |
| Standard InChI | MCULE-2469268247-0.inchi |
| InChIKey | MCULE-2469268247-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-896625469 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 370.199 |
| logP | -4.8223 |
| H-bond acceptors | 10 |
| H-bond donors | 2 |
| Rotatable bonds | 11 |
| PSA | 178.59 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 60.4829 |
| Atoms | 37 |
| Rings | 0 |
| Heavy atoms | 24 |
| Hydrogen atoms | 13 |
| Heteroatoms | 13 |
| N/O atoms | 10 |
| Inorganic atoms | 3 |
| Halogen atoms | 0 |
| 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 |
