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MCULE-1566027582
Compound
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- InChIKey:
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- InChI:
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1
MCULE-1440041395
- Component type: Main
-
1
MCULE-5133077095
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1566027582.sdf |
| SMILES | MCULE-1566027582.smiles |
| Standard InChI | MCULE-1566027582.inchi |
| InChIKey | MCULE-1566027582.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 473.389 |
| logP | 6.4207 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 69.46 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 105.9184 |
| Atoms | 45 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 13 |
| Heteroatoms | 11 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| 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 |
