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P-889906768
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| Name | File |
|---|---|
| SDF | P-889906768.sdf |
| SMILES | P-889906768.smiles |
| Standard InChI | P-889906768.inchi |
| InChIKey | P-889906768.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-889906768 | AA Blocks | AA Blocks - synthesis | N/A | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 666.495 |
| logP | -1.0612 |
| H-bond acceptors | 15 |
| H-bond donors | 4 |
| Rotatable bonds | 12 |
| PSA | 237.33 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 146.1261 |
| Atoms | 71 |
| Rings | 5 |
| Heavy atoms | 47 |
| Hydrogen atoms | 24 |
| Heteroatoms | 17 |
| N/O atoms | 15 |
| Inorganic atoms | 2 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
