MCULE-1290387913
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Name | File |
---|---|
SDF | MCULE-1290387913.sdf |
SMILES | MCULE-1290387913.smiles |
Standard InChI | MCULE-1290387913.inchi |
InChIKey | MCULE-1290387913.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 452.974 |
logP | 4.8469 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 10 |
PSA | 76.02 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 128.8184 |
Atoms | 61 |
Rings | 3 |
Heavy atoms | 32 |
Hydrogen atoms | 29 |
Heteroatoms | 7 |
N/O atoms | 6 |
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 |