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P-867459069
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | P-867459069.sdf |
| SMILES | P-867459069.smiles |
| Standard InChI | P-867459069.inchi |
| InChIKey | P-867459069.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867459069 | N/A | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 228.289 |
| logP | 2.7709 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 34.15 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 67.7907 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 16 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| 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 |
