MCULE-3493738124-0
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- InChI:
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1
MCULE-3181849329-0
- Component type: Main
-
1
MCULE-5889111640-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3493738124-0.sdf |
SMILES | MCULE-3493738124-0.smiles |
Standard InChI | MCULE-3493738124-0.inchi |
InChIKey | MCULE-3493738124-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892939260 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-489146050 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-892943193 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-892939268 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-489159033 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 458.572 |
logP | 4.8796 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 8 |
PSA | 123.45 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 131.5196 |
Atoms | 62 |
Rings | 3 |
Heavy atoms | 32 |
Hydrogen atoms | 30 |
Heteroatoms | 8 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |