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MCULE-7155960751-1
Structure
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-1336748609-1
- Component type: Counter Ion
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1
MCULE-3766020930-1
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-7155960751-1.sdf |
| SMILES | MCULE-7155960751-1.smiles |
| Standard InChI | MCULE-7155960751-1.inchi |
| InChIKey | MCULE-7155960751-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-889864676 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 262.346 |
| logP | -2.9228 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 135.54 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 69.5012 |
| Atoms | 44 |
| Rings | 0 |
| Heavy atoms | 18 |
| Hydrogen atoms | 26 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
