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UNKNOWN STEREO
P-888654934
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- InChIKey:
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- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | P-888654934.sdf |
| SMILES | P-888654934.smiles |
| Standard InChI | P-888654934.inchi |
| InChIKey | P-888654934.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-888654934 | 95 | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1900.852 |
| logP | 8.8691 |
| H-bond acceptors | 43 |
| H-bond donors | 29 |
| Rotatable bonds | 52 |
| PSA | 733.04 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 485.8224 |
| Atoms | 235 |
| Rings | 10 |
| Heavy atoms | 138 |
| Hydrogen atoms | 97 |
| Heteroatoms | 43 |
| N/O atoms | 43 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 13 |
| R/S chiral centers | 13 |
| 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 |
