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UNKNOWN STEREO
MCULE-1310250009
Compound
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- InChI:
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1
MCULE-3486891105
- Component type: Unknown
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1
MCULE-2101761133
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-1310250009.sdf |
| SMILES | MCULE-1310250009.smiles |
| Standard InChI | MCULE-1310250009.inchi |
| InChIKey | MCULE-1310250009.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 740.616 |
| logP | 6.06 |
| H-bond acceptors | 11 |
| H-bond donors | 3 |
| Rotatable bonds | 14 |
| PSA | 152.67 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 163.2759 |
| Atoms | 84 |
| Rings | 4 |
| Heavy atoms | 51 |
| Hydrogen atoms | 33 |
| Heteroatoms | 20 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 9 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
