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P-887190451
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| Name | File |
|---|---|
| SDF | P-887190451.sdf |
| SMILES | P-887190451.smiles |
| Standard InChI | P-887190451.inchi |
| InChIKey | P-887190451.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-887190451 | Combi-Blocks | Building Block on demand | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 681.487 |
| logP | 4.1023 |
| H-bond acceptors | 14 |
| H-bond donors | 7 |
| Rotatable bonds | 7 |
| PSA | 238.83 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 159.403 |
| Atoms | 77 |
| Rings | 4 |
| Heavy atoms | 45 |
| Hydrogen atoms | 32 |
| Heteroatoms | 19 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
