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UNKNOWN STEREO
MCULE-2520284772
Compound
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- InChIKey:
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- InChI:
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1
MCULE-3034829989
- Component type: Unknown
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1
MCULE-3396519232
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-2520284772.sdf |
| SMILES | MCULE-2520284772.smiles |
| Standard InChI | MCULE-2520284772.inchi |
| InChIKey | MCULE-2520284772.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1732.123 |
| logP | 10.3647 |
| H-bond acceptors | 28 |
| H-bond donors | 6 |
| Rotatable bonds | 15 |
| PSA | 340.12 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 455.7798 |
| Atoms | 265 |
| Rings | 14 |
| Heavy atoms | 123 |
| Hydrogen atoms | 142 |
| Heteroatoms | 28 |
| N/O atoms | 28 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 24 |
| R/S chiral centers | 24 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 6 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 6 |
| Undefined stereo double bonds | 0 |
