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MCULE-5160426287-0
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-4231505817-0
- Component type: Main
-
1
MCULE-1568229930-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5160426287-0.sdf |
| SMILES | MCULE-5160426287-0.smiles |
| Standard InChI | MCULE-5160426287-0.inchi |
| InChIKey | MCULE-5160426287-0.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1052.158 |
| logP | -0.9432 |
| H-bond acceptors | 24 |
| H-bond donors | 10 |
| Rotatable bonds | 15 |
| PSA | 364.73 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 255.419 |
| Atoms | 154 |
| Rings | 4 |
| Heavy atoms | 73 |
| Hydrogen atoms | 81 |
| Heteroatoms | 24 |
| N/O atoms | 24 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 23 |
| R/S chiral centers | 23 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 2 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
