MCULE-2780514048-0
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1
MCULE-5925676282-0
- Component type: Main
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1
MCULE-5852208511-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2780514048-0.sdf |
SMILES | MCULE-2780514048-0.smiles |
Standard InChI | MCULE-2780514048-0.inchi |
InChIKey | MCULE-2780514048-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-855297429 | Toronto Research | In stock | 90 | As is | in stock |
P-852190385 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-855242491 | Toronto Research | In stock | 90 | Main component | in stock |
P-867482832 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-854966344 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 485.553 |
logP | 2.1564 |
H-bond acceptors | 11 |
H-bond donors | 4 |
Rotatable bonds | 9 |
PSA | 185.81 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 127.8511 |
Atoms | 64 |
Rings | 3 |
Heavy atoms | 33 |
Hydrogen atoms | 31 |
Heteroatoms | 12 |
N/O atoms | 11 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |