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UNKNOWN STEREO
MCULE-5098514361
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-9329934886
- Component type: Unknown
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1
MCULE-6602875097
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-5098514361.sdf |
| SMILES | MCULE-5098514361.smiles |
| Standard InChI | MCULE-5098514361.inchi |
| InChIKey | MCULE-5098514361.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 421.527 |
| logP | 3.0211 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 94.07 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 119.8396 |
| Atoms | 62 |
| Rings | 5 |
| Heavy atoms | 31 |
| Hydrogen atoms | 31 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 6 |
| 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 |
