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MCULE-3350320301
Compound
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| Name | File |
|---|---|
| SDF | MCULE-3350320301.sdf |
| SMILES | MCULE-3350320301.smiles |
| Standard InChI | MCULE-3350320301.inchi |
| InChIKey | MCULE-3350320301.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489178301 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 927.121 |
| logP | 1.1681 |
| H-bond acceptors | 17 |
| H-bond donors | 10 |
| Rotatable bonds | 9 |
| PSA | 274.75 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 232.232 |
| Atoms | 143 |
| Rings | 8 |
| Heavy atoms | 65 |
| Hydrogen atoms | 78 |
| Heteroatoms | 17 |
| N/O atoms | 17 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 23 |
| R/S chiral centers | 23 |
| 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 |
