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UNKNOWN STEREO
MCULE-2885825369
Compound
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- InChIKey:
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- InChI:
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1
MCULE-2905754796
- Component type: Unknown
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1
MCULE-4933391165
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-2885825369.sdf |
| SMILES | MCULE-2885825369.smiles |
| Standard InChI | MCULE-2885825369.inchi |
| InChIKey | MCULE-2885825369.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 694.443 |
| logP | -2.5636 |
| H-bond acceptors | 24 |
| H-bond donors | 10 |
| Rotatable bonds | 8 |
| PSA | 391.76 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 147.1682 |
| Atoms | 74 |
| Rings | 6 |
| Heavy atoms | 46 |
| Hydrogen atoms | 28 |
| Heteroatoms | 26 |
| N/O atoms | 24 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
