MCULE-8861185464-1
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Name | File |
---|---|
SDF | MCULE-8861185464-1.sdf |
SMILES | MCULE-8861185464-1.smiles |
Standard InChI | MCULE-8861185464-1.inchi |
InChIKey | MCULE-8861185464-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-489126484 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-885534806 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-855024260 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 116.148 |
logP | -0.1273 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 0 |
PSA | 78.59 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 26.4687 |
Atoms | 11 |
Rings | 1 |
Heavy atoms | 7 |
Hydrogen atoms | 4 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |