MCULE-3984176939
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Name | File |
---|---|
SDF | MCULE-3984176939.sdf |
SMILES | MCULE-3984176939.smiles |
Standard InChI | MCULE-3984176939.inchi |
InChIKey | MCULE-3984176939.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 422.566 |
logP | 5.0495 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 112.33 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 114.9272 |
Atoms | 54 |
Rings | 3 |
Heavy atoms | 28 |
Hydrogen atoms | 26 |
Heteroatoms | 8 |
N/O atoms | 6 |
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 |