MCULE-3439016580-0
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Name | File |
---|---|
SDF | MCULE-3439016580-0.sdf |
SMILES | MCULE-3439016580-0.smiles |
Standard InChI | MCULE-3439016580-0.inchi |
InChIKey | MCULE-3439016580-0.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 332.462 |
logP | 4.29918 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 87.42 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 94.4587 |
Atoms | 47 |
Rings | 2 |
Heavy atoms | 23 |
Hydrogen atoms | 24 |
Heteroatoms | 5 |
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 |