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MCULE-7728797367
Compound
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- InChIKey:
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- InChI:
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1
MCULE-7107251738
- Component type: Main
-
2
MCULE-7175589186
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7728797367.sdf |
| SMILES | MCULE-7728797367.smiles |
| Standard InChI | MCULE-7728797367.inchi |
| InChIKey | MCULE-7728797367.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 435.556 |
| logP | 2.8991 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 101.39 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 133.4336 |
| Atoms | 68 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 37 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
