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UNKNOWN STEREO
MCULE-6223924850-0
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-2400970631-0
- Component type: Unknown
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1
MCULE-4875450212-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-6223924850-0.sdf |
| SMILES | MCULE-6223924850-0.smiles |
| Standard InChI | MCULE-6223924850-0.inchi |
| InChIKey | MCULE-6223924850-0.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1092.221 |
| logP | -3.8833 |
| H-bond acceptors | 26 |
| H-bond donors | 14 |
| Rotatable bonds | 15 |
| PSA | 411.51 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 260.2802 |
| Atoms | 164 |
| Rings | 4 |
| Heavy atoms | 75 |
| Hydrogen atoms | 89 |
| Heteroatoms | 26 |
| N/O atoms | 26 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 27 |
| R/S chiral centers | 26 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
