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MCULE-5456726511
Compound
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- InChIKey:
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- InChI:
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1
MCULE-5839979596
- Component type: Unknown
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1
MCULE-7501628471
- Component type: Unknown
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1
MCULE-2704647488
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-5456726511.sdf |
| SMILES | MCULE-5456726511.smiles |
| Standard InChI | MCULE-5456726511.inchi |
| InChIKey | MCULE-5456726511.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 342.556 |
| logP | 4.6722 |
| H-bond acceptors | 3 |
| H-bond donors | 3 |
| Rotatable bonds | 0 |
| PSA | 60.69 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 104.4324 |
| Atoms | 66 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 42 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
