MCULE-1096490668
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Name | File |
---|---|
SDF | MCULE-1096490668.sdf |
SMILES | MCULE-1096490668.smiles |
Standard InChI | MCULE-1096490668.inchi |
InChIKey | MCULE-1096490668.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 413.510 |
logP | 5.1055 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 8 |
PSA | 61.44 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 127.0389 |
Atoms | 58 |
Rings | 4 |
Heavy atoms | 31 |
Hydrogen atoms | 27 |
Heteroatoms | 5 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |