P-503107759
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Name | File |
---|---|
SDF | P-503107759.sdf |
SMILES | P-503107759.smiles |
Standard InChI | P-503107759.inchi |
InChIKey | P-503107759.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-503107759 | Innovapharm | Virtual Screening Compounds | 90 | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 458.504 |
logP | 4.5954 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 9 |
PSA | 88.96 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 131.2263 |
Atoms | 60 |
Rings | 4 |
Heavy atoms | 34 |
Hydrogen atoms | 26 |
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 |