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P-502369921
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| Name | File |
|---|---|
| SDF | P-502369921.sdf |
| SMILES | P-502369921.smiles |
| Standard InChI | P-502369921.inchi |
| InChIKey | P-502369921.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-502369921 | TimTec | Building Block Collection | 90 | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 458.286 |
| logP | 5.3312 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 57.23 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 119.552 |
| Atoms | 48 |
| Rings | 5 |
| Heavy atoms | 31 |
| Hydrogen atoms | 17 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
