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P-852085816
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| Name | File |
|---|---|
| SDF | P-852085816.sdf |
| SMILES | P-852085816.smiles |
| Standard InChI | P-852085816.inchi |
| InChIKey | P-852085816.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852085816 | A2B Chem | Predominantly Building Block on demand | N/A | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 397.826 |
| logP | 2.3489 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 75.01 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 108.7973 |
| Atoms | 48 |
| Rings | 4 |
| Heavy atoms | 27 |
| Hydrogen atoms | 21 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
