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UNKNOWN STEREO
MCULE-9241441767-0
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-2160260971-0
- Component type: Main
-
1
MCULE-6152801555-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9241441767-0.sdf |
| SMILES | MCULE-9241441767-0.smiles |
| Standard InChI | MCULE-9241441767-0.inchi |
| InChIKey | MCULE-9241441767-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-855245201 | Toronto Research | In stock | 90 | As is | in stock |
| P-855245576 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 613.524 |
| logP | 1.7021 |
| H-bond acceptors | 7 |
| H-bond donors | 0 |
| Rotatable bonds | 11 |
| PSA | 63.22 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 155.996 |
| Atoms | 76 |
| Rings | 3 |
| Heavy atoms | 36 |
| Hydrogen atoms | 40 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
