MCULE-3105287312-0
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MCULE-7699769106-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3105287312-0.sdf |
SMILES | MCULE-3105287312-0.smiles |
Standard InChI | MCULE-3105287312-0.inchi |
InChIKey | MCULE-3105287312-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892942750 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-892942763 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 405.487 |
logP | 1.6611 |
H-bond acceptors | 8 |
H-bond donors | 1 |
Rotatable bonds | 10 |
PSA | 80.34 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 118.7887 |
Atoms | 60 |
Rings | 2 |
Heavy atoms | 29 |
Hydrogen atoms | 31 |
Heteroatoms | 8 |
N/O atoms | 8 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |