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MCULE-5168213571-0
Structure
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-2426499006-0
- Component type: Unknown
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1
MCULE-5261864819-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-5168213571-0.sdf |
| SMILES | MCULE-5168213571-0.smiles |
| Standard InChI | MCULE-5168213571-0.inchi |
| InChIKey | MCULE-5168213571-0.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 808.924 |
| logP | 8.8314 |
| H-bond acceptors | 10 |
| H-bond donors | 6 |
| Rotatable bonds | 6 |
| PSA | 194.52 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 258.304 |
| Atoms | 102 |
| Rings | 10 |
| Heavy atoms | 62 |
| Hydrogen atoms | 40 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 8 |
| Cis/trans stereo double bonds | 8 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
