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MCULE-8545863413
Compound
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1
MCULE-3867000095
- Component type: Counter Ion
-
1
MCULE-8417340168
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-8545863413.sdf |
| SMILES | MCULE-8545863413.smiles |
| Standard InChI | MCULE-8545863413.inchi |
| InChIKey | MCULE-8545863413.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-885550759 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 182.132 |
| logP | -1.9032 |
| H-bond acceptors | 8 |
| H-bond donors | 6 |
| Rotatable bonds | 3 |
| PSA | 167.1 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 34.738 |
| Atoms | 22 |
| Rings | 0 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
