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UNKNOWN STEREO
P-675216474
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| Name | File |
|---|---|
| SDF | P-675216474.sdf |
| SMILES | P-675216474.smiles |
| Standard InChI | P-675216474.inchi |
| InChIKey | P-675216474.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-675216474 | 95 | in stock |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 589.126 |
| logP | -0.4399 |
| H-bond acceptors | 19 |
| H-bond donors | 5 |
| Rotatable bonds | 8 |
| PSA | 337.02 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 93.6335 |
| Atoms | 48 |
| Rings | 3 |
| Heavy atoms | 35 |
| Hydrogen atoms | 13 |
| Heteroatoms | 25 |
| N/O atoms | 19 |
| Inorganic atoms | 3 |
| 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 |
