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MCULE-1733447286-1
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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2
MCULE-8917344355-1
- Component type: Counter Ion
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1
MCULE-5737585609-1
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-1733447286-1.sdf |
| SMILES | MCULE-1733447286-1.smiles |
| Standard InChI | MCULE-1733447286-1.inchi |
| InChIKey | MCULE-1733447286-1.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 622.369 |
| logP | 4.8792 |
| H-bond acceptors | 24 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 388.4 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 150.7368 |
| Atoms | 58 |
| Rings | 3 |
| Heavy atoms | 44 |
| Hydrogen atoms | 14 |
| Heteroatoms | 24 |
| N/O atoms | 24 |
| 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 |
