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UNKNOWN STEREO
P-594275509
Product
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| Name | File |
|---|---|
| SDF | P-594275509.sdf |
| SMILES | P-594275509.smiles |
| Standard InChI | P-594275509.inchi |
| InChIKey | P-594275509.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-594275509 | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 555.622 |
| logP | 2.1013 |
| H-bond acceptors | 12 |
| H-bond donors | 7 |
| Rotatable bonds | 19 |
| PSA | 199.95 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 146.509 |
| Atoms | 77 |
| Rings | 2 |
| Heavy atoms | 40 |
| Hydrogen atoms | 37 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
