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UNKNOWN STEREO
P-904255522
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | P-904255522.sdf |
| SMILES | P-904255522.smiles |
| Standard InChI | P-904255522.inchi |
| InChIKey | P-904255522.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904255522 | 95 | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1384.676 |
| logP | 5.8725 |
| H-bond acceptors | 36 |
| H-bond donors | 23 |
| Rotatable bonds | 57 |
| PSA | 676.95 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 367.1272 |
| Atoms | 207 |
| Rings | 2 |
| Heavy atoms | 98 |
| Hydrogen atoms | 109 |
| Heteroatoms | 36 |
| N/O atoms | 36 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 9 |
| R/S chiral centers | 9 |
| 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 |
