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MCULE-5456580482
Compound
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- InChIKey:
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- InChI:
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MCULE-1979041842
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5456580482.sdf |
| SMILES | MCULE-5456580482.smiles |
| Standard InChI | MCULE-5456580482.inchi |
| InChIKey | MCULE-5456580482.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 545.749 |
| logP | 5.4364 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 16 |
| PSA | 80.62 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 158.9536 |
| Atoms | 90 |
| Rings | 2 |
| Heavy atoms | 39 |
| Hydrogen atoms | 51 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
