MCULE-2794056136
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Name | File |
---|---|
SDF | MCULE-2794056136.sdf |
SMILES | MCULE-2794056136.smiles |
Standard InChI | MCULE-2794056136.inchi |
InChIKey | MCULE-2794056136.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 300.312 |
logP | 1.55698 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 102.3 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 86.5524 |
Atoms | 38 |
Rings | 2 |
Heavy atoms | 22 |
Hydrogen atoms | 16 |
Heteroatoms | 7 |
N/O atoms | 7 |
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 |