MCULE-8870564999
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Name | File |
---|---|
SDF | MCULE-8870564999.sdf |
SMILES | MCULE-8870564999.smiles |
Standard InChI | MCULE-8870564999.inchi |
InChIKey | MCULE-8870564999.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 326.407 |
logP | 3.358 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 23.55 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 101.5905 |
Atoms | 47 |
Rings | 3 |
Heavy atoms | 24 |
Hydrogen atoms | 23 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |