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MCULE-3867760893
Compound
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- InChIKey:
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- InChI:
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1
MCULE-4120010227
- Component type: Unknown
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1
MCULE-1672999723
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-3867760893.sdf |
| SMILES | MCULE-3867760893.smiles |
| Standard InChI | MCULE-3867760893.inchi |
| InChIKey | MCULE-3867760893.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 540.647 |
| logP | 2.8235 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 10 |
| PSA | 133.19 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 151.0037 |
| Atoms | 79 |
| Rings | 5 |
| Heavy atoms | 39 |
| Hydrogen atoms | 40 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 5 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
