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P-580487681
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- InChI:
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| Name | File |
|---|---|
| SDF | P-580487681.sdf |
| SMILES | P-580487681.smiles |
| Standard InChI | P-580487681.inchi |
| InChIKey | P-580487681.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-580487681 | 98 | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 114.189 |
| logP | 1.6156 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 52.04 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 34.2568 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 14 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
