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UNKNOWN STEREO
MCULE-9634705918
Compound
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- InChIKey:
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- InChI:
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1
MCULE-3846926665
- Component type: Unknown
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1
MCULE-5313127704
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-9634705918.sdf |
| SMILES | MCULE-9634705918.smiles |
| Standard InChI | MCULE-9634705918.inchi |
| InChIKey | MCULE-9634705918.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 580.574 |
| logP | -6.3598 |
| H-bond acceptors | 17 |
| H-bond donors | 10 |
| Rotatable bonds | 17 |
| PSA | 266.91 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 124.967 |
| Atoms | 83 |
| Rings | 2 |
| Heavy atoms | 39 |
| Hydrogen atoms | 44 |
| Heteroatoms | 17 |
| N/O atoms | 17 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 10 |
| R/S chiral centers | 10 |
| 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 |
