MCULE-5052955066
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Name | File |
---|---|
SDF | MCULE-5052955066.sdf |
SMILES | MCULE-5052955066.smiles |
Standard InChI | MCULE-5052955066.inchi |
InChIKey | MCULE-5052955066.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 434.440 |
logP | 2.6585 |
H-bond acceptors | 8 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 110.39 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 107.6622 |
Atoms | 49 |
Rings | 4 |
Heavy atoms | 30 |
Hydrogen atoms | 19 |
Heteroatoms | 10 |
N/O atoms | 8 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |