MCULE-9743820028
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Name | File |
---|---|
SDF | MCULE-9743820028.sdf |
SMILES | MCULE-9743820028.smiles |
Standard InChI | MCULE-9743820028.inchi |
InChIKey | MCULE-9743820028.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-580377108 | Debye Scientific | General Catalog | N/A | As a main component | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 1 |
Mass | 410.782 |
logP | 9.6848 |
H-bond acceptors | 1 |
H-bond donors | 0 |
Rotatable bonds | 24 |
PSA | 0.0 |
RO5 violations | 1 |
RO3 violations | 3 |
Refractivity | 139.0844 |
Atoms | 89 |
Rings | 0 |
Heavy atoms | 29 |
Hydrogen atoms | 60 |
Heteroatoms | 1 |
N/O atoms | 1 |
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 |