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MCULE-8281872017
Compound
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- InChIKey:
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- InChI:
- Formula:
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3
MCULE-3833394421
- Component type: Counter Ion
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1
MCULE-7750713038
- Component type: Unknown
-
1
MCULE-4498480373
- Component type: Unknown
-
1
MCULE-2168290829
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-8281872017.sdf |
| SMILES | MCULE-8281872017.smiles |
| Standard InChI | MCULE-8281872017.inchi |
| InChIKey | MCULE-8281872017.txt |
| Property | Value |
|---|---|
| Components | 6 |
| Mass | 997.749 |
| logP | 13.2972 |
| H-bond acceptors | 20 |
| H-bond donors | 0 |
| Rotatable bonds | 8 |
| PSA | 364.48 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 217.5418 |
| Atoms | 90 |
| Rings | 8 |
| Heavy atoms | 66 |
| Hydrogen atoms | 24 |
| Heteroatoms | 26 |
| N/O atoms | 20 |
| Inorganic atoms | 4 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
