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UNKNOWN STEREO
P-611523444
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- InChIKey:
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- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | P-611523444.sdf |
| SMILES | P-611523444.smiles |
| Standard InChI | P-611523444.inchi |
| InChIKey | P-611523444.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-611523444 | 90 | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1102.248 |
| logP | 1.2369 |
| H-bond acceptors | 27 |
| H-bond donors | 14 |
| Rotatable bonds | 21 |
| PSA | 513.45 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 297.9307 |
| Atoms | 143 |
| Rings | 4 |
| Heavy atoms | 76 |
| Hydrogen atoms | 67 |
| Heteroatoms | 29 |
| N/O atoms | 27 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 8 |
| R/S chiral centers | 8 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
