P-425590850
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Name | File |
---|---|
SDF | P-425590850.sdf |
SMILES | P-425590850.smiles |
Standard InChI | P-425590850.inchi |
InChIKey | P-425590850.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 462.422 |
logP | 5.0416 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 68.4 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 121.9232 |
Atoms | 51 |
Rings | 5 |
Heavy atoms | 34 |
Hydrogen atoms | 17 |
Heteroatoms | 9 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |