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MCULE-6426819359
Compound
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- InChIKey:
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- InChI:
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1
MCULE-1938576029
- Component type: Unknown
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1
MCULE-3344207132
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-6426819359.sdf |
| SMILES | MCULE-6426819359.smiles |
| Standard InChI | MCULE-6426819359.inchi |
| InChIKey | MCULE-6426819359.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 417.923 |
| logP | 4.0272 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 83.04 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 118.6284 |
| Atoms | 57 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 28 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
