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MCULE-5363296996
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-9791449975
- Component type: Counter Ion
-
1
MCULE-8906786977
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-5363296996.sdf |
| SMILES | MCULE-5363296996.smiles |
| Standard InChI | MCULE-5363296996.inchi |
| InChIKey | MCULE-5363296996.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-895498028 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 202.893 |
| logP | -0.9986 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 40.13 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 11.6595 |
| Atoms | 8 |
| Rings | 0 |
| Heavy atoms | 7 |
| Hydrogen atoms | 1 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| Inorganic atoms | 1 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
