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UNKNOWN STEREO
P-580418414
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- InChI:
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| Name | File |
|---|---|
| SDF | P-580418414.sdf |
| SMILES | P-580418414.smiles |
| Standard InChI | P-580418414.inchi |
| InChIKey | P-580418414.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-580418414 | Debye Scientific | General Catalog | 95 | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 347.221 |
| logP | -1.2818 |
| H-bond acceptors | 12 |
| H-bond donors | 5 |
| Rotatable bonds | 4 |
| PSA | 195.88 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 73.5841 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 14 |
| Heteroatoms | 13 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
