MCULE-5486209282
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Name | File |
---|---|
SDF | MCULE-5486209282.sdf |
SMILES | MCULE-5486209282.smiles |
Standard InChI | MCULE-5486209282.inchi |
InChIKey | MCULE-5486209282.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 895.080 |
logP | 5.4721 |
H-bond acceptors | 14 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 155.9 |
RO5 violations | 3 |
RO3 violations | 4 |
Refractivity | 231.4748 |
Atoms | 134 |
Rings | 11 |
Heavy atoms | 64 |
Hydrogen atoms | 70 |
Heteroatoms | 14 |
N/O atoms | 14 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 23 |
R/S chiral centers | 23 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 1 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |