MCULE-8741653959
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- InChI:
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MCULE-4678221774
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8741653959.sdf |
SMILES | MCULE-8741653959.smiles |
Standard InChI | MCULE-8741653959.inchi |
InChIKey | MCULE-8741653959.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893097966 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-611452040 | Toronto Research | In stock | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 433.146 |
logP | 0.3755 |
H-bond acceptors | 15 |
H-bond donors | 5 |
Rotatable bonds | 9 |
PSA | 258.87 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 84.4961 |
Atoms | 40 |
Rings | 2 |
Heavy atoms | 26 |
Hydrogen atoms | 14 |
Heteroatoms | 18 |
N/O atoms | 15 |
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 |