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UNKNOWN STEREO
MCULE-3431807618
Compound
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| Name | File |
|---|---|
| SDF | MCULE-3431807618.sdf |
| SMILES | MCULE-3431807618.smiles |
| Standard InChI | MCULE-3431807618.inchi |
| InChIKey | MCULE-3431807618.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-855048599 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 995.171 |
| logP | 3.9297 |
| H-bond acceptors | 22 |
| H-bond donors | 11 |
| Rotatable bonds | 16 |
| PSA | 340.64 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 292.0056 |
| Atoms | 145 |
| Rings | 2 |
| Heavy atoms | 71 |
| Hydrogen atoms | 74 |
| Heteroatoms | 22 |
| N/O atoms | 22 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 10 |
| R/S chiral centers | 10 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 3 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 1 |
