P-502602838
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Name | File |
---|---|
SDF | P-502602838.sdf |
SMILES | P-502602838.smiles |
Standard InChI | P-502602838.inchi |
InChIKey | P-502602838.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-502602838 | Innovapharm | Screening Compounds | 90 | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 450.569 |
logP | 4.5949 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 9 |
PSA | 70.08 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 134.5083 |
Atoms | 67 |
Rings | 3 |
Heavy atoms | 33 |
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 |