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MCULE-7889263642
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-5388906974
- Component type: Unknown
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1
MCULE-8121446012
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-7889263642.sdf |
| SMILES | MCULE-7889263642.smiles |
| Standard InChI | MCULE-7889263642.inchi |
| InChIKey | MCULE-7889263642.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1056.388 |
| logP | 7.554 |
| H-bond acceptors | 19 |
| H-bond donors | 5 |
| Rotatable bonds | 22 |
| PSA | 271.96 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 275.323 |
| Atoms | 169 |
| Rings | 3 |
| Heavy atoms | 72 |
| Hydrogen atoms | 97 |
| Heteroatoms | 20 |
| N/O atoms | 19 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 18 |
| R/S chiral centers | 18 |
| 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 |
