MCULE-6703570073
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Name | File |
---|---|
SDF | MCULE-6703570073.sdf |
SMILES | MCULE-6703570073.smiles |
Standard InChI | MCULE-6703570073.inchi |
InChIKey | MCULE-6703570073.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 233.349 |
logP | 3.2844 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 29.1 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 70.4047 |
Atoms | 40 |
Rings | 3 |
Heavy atoms | 17 |
Hydrogen atoms | 23 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 5 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 5 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |