P-578212376
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Name | File |
---|---|
SDF | P-578212376.sdf |
SMILES | P-578212376.smiles |
Standard InChI | P-578212376.inchi |
InChIKey | P-578212376.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 398.541 |
logP | 4.4453 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 9 |
PSA | 66.37 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 124.5474 |
Atoms | 63 |
Rings | 3 |
Heavy atoms | 29 |
Hydrogen atoms | 34 |
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 |