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MCULE-1098038358
Compound
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- InChIKey:
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- InChI:
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2
MCULE-3833394421
- Component type: Counter Ion
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1
MCULE-5024840055
- Component type: Unknown
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1
MCULE-2967452988
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-1098038358.sdf |
| SMILES | MCULE-1098038358.smiles |
| Standard InChI | MCULE-1098038358.inchi |
| InChIKey | MCULE-1098038358.txt |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 566.560 |
| logP | 6.8872 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 156.94 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 137.3308 |
| Atoms | 58 |
| Rings | 5 |
| Heavy atoms | 38 |
| Hydrogen atoms | 20 |
| Heteroatoms | 12 |
| N/O atoms | 8 |
| Inorganic atoms | 2 |
| Halogen atoms | 0 |
| 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 |
