MCULE-8102335846
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Name | File |
---|---|
SDF | MCULE-8102335846.sdf |
SMILES | MCULE-8102335846.smiles |
Standard InChI | MCULE-8102335846.inchi |
InChIKey | MCULE-8102335846.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 496.638 |
logP | 5.6018 |
H-bond acceptors | 5 |
H-bond donors | 0 |
Rotatable bonds | 14 |
PSA | 78.09 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 138.9105 |
Atoms | 68 |
Rings | 3 |
Heavy atoms | 35 |
Hydrogen atoms | 33 |
Heteroatoms | 7 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |