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UNKNOWN STEREO
MCULE-6948966191
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-5893043131
- Component type: Counter Ion
-
1
MCULE-1719721080
- Component type: Unknown
-
1
MCULE-3012913860
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-6948966191.sdf |
| SMILES | MCULE-6948966191.smiles |
| Standard InChI | MCULE-6948966191.inchi |
| InChIKey | MCULE-6948966191.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-675212560 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 471.370 |
| logP | -2.0557 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 150.76 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 62.2348 |
| Atoms | 40 |
| Rings | 1 |
| Heavy atoms | 20 |
| Hydrogen atoms | 20 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| 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 |
