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UNKNOWN STEREO
MCULE-5771120494
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-8407868694
- Component type: Counter Ion
-
1
MCULE-3226089160
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-5771120494.sdf |
| SMILES | MCULE-5771120494.smiles |
| Standard InChI | MCULE-5771120494.inchi |
| InChIKey | MCULE-5771120494.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869151374 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888650852 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 284.308 |
| logP | 2.0183 |
| H-bond acceptors | 7 |
| H-bond donors | 5 |
| Rotatable bonds | 6 |
| PSA | 146.87 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 73.5669 |
| Atoms | 40 |
| Rings | 1 |
| Heavy atoms | 20 |
| Hydrogen atoms | 20 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
