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UNKNOWN STEREO
P-1274335042
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | P-1274335042.sdf |
| SMILES | P-1274335042.smiles |
| Standard InChI | P-1274335042.inchi |
| InChIKey | P-1274335042.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1274335042 | 95 | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1247.346 |
| logP | 1.6864 |
| H-bond acceptors | 33 |
| H-bond donors | 17 |
| Rotatable bonds | 47 |
| PSA | 526.07 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 301.0354 |
| Atoms | 167 |
| Rings | 2 |
| Heavy atoms | 86 |
| Hydrogen atoms | 81 |
| Heteroatoms | 34 |
| N/O atoms | 30 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 10 |
| R/S chiral centers | 10 |
| 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 |
