MCULE-8800729245
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Name | File |
---|---|
SDF | MCULE-8800729245.sdf |
SMILES | MCULE-8800729245.smiles |
Standard InChI | MCULE-8800729245.inchi |
InChIKey | MCULE-8800729245.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 386.491 |
logP | 2.3108 |
H-bond acceptors | 8 |
H-bond donors | 1 |
Rotatable bonds | 7 |
PSA | 87.39 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 115.1347 |
Atoms | 58 |
Rings | 4 |
Heavy atoms | 28 |
Hydrogen atoms | 30 |
Heteroatoms | 8 |
N/O atoms | 8 |
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 |