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P-584628326
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- InChI:
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| Name | File |
|---|---|
| SDF | P-584628326.sdf |
| SMILES | P-584628326.smiles |
| Standard InChI | P-584628326.inchi |
| InChIKey | P-584628326.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1603.955 |
| logP | 6.2735 |
| H-bond acceptors | 39 |
| H-bond donors | 25 |
| Rotatable bonds | 69 |
| PSA | 661.7 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 431.0611 |
| Atoms | 240 |
| Rings | 3 |
| Heavy atoms | 114 |
| Hydrogen atoms | 126 |
| Heteroatoms | 39 |
| N/O atoms | 39 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 12 |
| R/S chiral centers | 12 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 3 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 3 |
| Undefined stereo double bonds | 0 |
