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UNKNOWN STEREO
P-675333620
Product
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- InChI:
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| Name | File |
|---|---|
| SDF | P-675333620.sdf |
| SMILES | P-675333620.smiles |
| Standard InChI | P-675333620.inchi |
| InChIKey | P-675333620.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-675333620 | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 565.125 |
| logP | 4.7422 |
| H-bond acceptors | 9 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 130.42 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 156.1481 |
| Atoms | 75 |
| Rings | 4 |
| Heavy atoms | 38 |
| Hydrogen atoms | 37 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
