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UNKNOWN STEREO
P-580195651
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- InChIKey:
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- InChI:
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| Name | File |
|---|---|
| SDF | P-580195651.sdf |
| SMILES | P-580195651.smiles |
| Standard InChI | P-580195651.inchi |
| InChIKey | P-580195651.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-580195651 | 98 | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 390.354 |
| logP | -1.2787 |
| H-bond acceptors | 13 |
| H-bond donors | 5 |
| Rotatable bonds | 4 |
| PSA | 189.95 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 94.8256 |
| Atoms | 46 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 18 |
| Heteroatoms | 13 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
