MCULE-9093180293-0
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- SMILES:
- InChI:
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1
MCULE-5683451608-0
- Component type: Main
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1
MCULE-5142506228-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9093180293-0.sdf |
SMILES | MCULE-9093180293-0.smiles |
Standard InChI | MCULE-9093180293-0.inchi |
InChIKey | MCULE-9093180293-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892955731 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-892948613 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-611382096 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 716.696 |
logP | 10.6753 |
H-bond acceptors | 5 |
H-bond donors | 0 |
Rotatable bonds | 12 |
PSA | 137.52 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 197.124 |
Atoms | 79 |
Rings | 6 |
Heavy atoms | 48 |
Hydrogen atoms | 31 |
Heteroatoms | 11 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |