MCULE-2209130885
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Name | File |
---|---|
SDF | MCULE-2209130885.sdf |
SMILES | MCULE-2209130885.smiles |
Standard InChI | MCULE-2209130885.inchi |
InChIKey | MCULE-2209130885.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 361.436 |
logP | 3.49108 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 73.2 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 108.7242 |
Atoms | 50 |
Rings | 3 |
Heavy atoms | 27 |
Hydrogen atoms | 23 |
Heteroatoms | 5 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |