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UNKNOWN STEREO
P-1273111579
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | P-1273111579.sdf |
| SMILES | P-1273111579.smiles |
| Standard InChI | P-1273111579.inchi |
| InChIKey | P-1273111579.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1273111579 | 95 | 100 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 239.228 |
| logP | -0.8625 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 118.18 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 59.3029 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 13 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
