MCULE-3604513585-0
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- SMILES:
- InChI:
- Formula:
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1
MCULE-2180127336-0
- Component type: Main
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1
MCULE-2361956978-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3604513585-0.sdf |
SMILES | MCULE-3604513585-0.smiles |
Standard InChI | MCULE-3604513585-0.inchi |
InChIKey | MCULE-3604513585-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867431258 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-580377114 | Debye Scientific | General Catalog | N/A | Main component as a main component | by resynthesis (? - ? days) |
P-580377084 | Debye Scientific | General Catalog | N/A | Main component as a main component | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 2 |
Mass | 177.303 |
logP | -0.333 |
H-bond acceptors | 1 |
H-bond donors | 0 |
Rotatable bonds | 6 |
PSA | 0.0 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 54.7784 |
Atoms | 36 |
Rings | 0 |
Heavy atoms | 12 |
Hydrogen atoms | 24 |
Heteroatoms | 2 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |