MCULE-6003371032
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Name | File |
---|---|
SDF | MCULE-6003371032.sdf |
SMILES | MCULE-6003371032.smiles |
Standard InChI | MCULE-6003371032.inchi |
InChIKey | MCULE-6003371032.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 384.404 |
logP | 5.1886 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 88.05 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 101.3852 |
Atoms | 41 |
Rings | 4 |
Heavy atoms | 27 |
Hydrogen atoms | 14 |
Heteroatoms | 8 |
N/O atoms | 5 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |