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MCULE-7236083134-1
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-3412485584-2
- Component type: Main
-
1
MCULE-3643444072-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7236083134-1.sdf |
| SMILES | MCULE-7236083134-1.smiles |
| Standard InChI | MCULE-7236083134-1.inchi |
| InChIKey | MCULE-7236083134-1.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1039.085 |
| logP | 7.1423 |
| H-bond acceptors | 22 |
| H-bond donors | 8 |
| Rotatable bonds | 19 |
| PSA | 289.7 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 274.31 |
| Atoms | 135 |
| Rings | 10 |
| Heavy atoms | 75 |
| Hydrogen atoms | 60 |
| Heteroatoms | 22 |
| N/O atoms | 20 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 8 |
| R/S chiral centers | 8 |
| 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 |
