P-502846048
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Name | File |
---|---|
SDF | P-502846048.sdf |
SMILES | P-502846048.smiles |
Standard InChI | P-502846048.inchi |
InChIKey | P-502846048.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-502846048 | Innovapharm | Screening Compounds | 90 | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 494.579 |
logP | 6.5314 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 11 |
PSA | 76.66 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 143.8454 |
Atoms | 67 |
Rings | 4 |
Heavy atoms | 37 |
Hydrogen atoms | 30 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |