MCULE-6039071590
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Name | File |
---|---|
SDF | MCULE-6039071590.sdf |
SMILES | MCULE-6039071590.smiles |
Standard InChI | MCULE-6039071590.inchi |
InChIKey | MCULE-6039071590.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 516.769 |
logP | 5.2428 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 10 |
PSA | 89.02 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 126.9164 |
Atoms | 51 |
Rings | 3 |
Heavy atoms | 32 |
Hydrogen atoms | 19 |
Heteroatoms | 9 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |