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P-584624016
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- InChIKey:
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- InChI:
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| Name | File |
|---|---|
| SDF | P-584624016.sdf |
| SMILES | P-584624016.smiles |
| Standard InChI | P-584624016.inchi |
| InChIKey | P-584624016.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 341.356 |
| logP | -0.1065 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 4 |
| PSA | 127.53 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 88.4342 |
| Atoms | 47 |
| Rings | 2 |
| Heavy atoms | 24 |
| Hydrogen atoms | 23 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
