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P-502347874
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| Name | File |
|---|---|
| SDF | P-502347874.sdf |
| SMILES | P-502347874.smiles |
| Standard InChI | P-502347874.inchi |
| InChIKey | P-502347874.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-502347874 | TimTec | Building Block Collection | 90 | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 238.301 |
| logP | 2.186 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 38.49 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 68.6974 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 19 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
