MCULE-1094451058
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Name | File |
---|---|
SDF | MCULE-1094451058.sdf |
SMILES | MCULE-1094451058.smiles |
Standard InChI | MCULE-1094451058.inchi |
InChIKey | MCULE-1094451058.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 332.480 |
logP | 3.499 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 41.57 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 103.2222 |
Atoms | 56 |
Rings | 2 |
Heavy atoms | 24 |
Hydrogen atoms | 32 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |