MCULE-7818199039-0
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Name | File |
---|---|
SDF | MCULE-7818199039-0.sdf |
SMILES | MCULE-7818199039-0.smiles |
Standard InChI | MCULE-7818199039-0.inchi |
InChIKey | MCULE-7818199039-0.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 422.274 |
logP | 3.4332 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 74.05 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 117.559 |
Atoms | 43 |
Rings | 4 |
Heavy atoms | 27 |
Hydrogen atoms | 16 |
Heteroatoms | 6 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |