MCULE-6899835786
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Name | File |
---|---|
SDF | MCULE-6899835786.sdf |
SMILES | MCULE-6899835786.smiles |
Standard InChI | MCULE-6899835786.inchi |
InChIKey | MCULE-6899835786.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 303.394 |
logP | 1.4757 |
H-bond acceptors | 6 |
H-bond donors | 0 |
Rotatable bonds | 13 |
PSA | 65.07 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 80.77 |
Atoms | 50 |
Rings | 0 |
Heavy atoms | 21 |
Hydrogen atoms | 29 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |