P-502683561
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Name | File |
---|---|
SDF | P-502683561.sdf |
SMILES | P-502683561.smiles |
Standard InChI | P-502683561.inchi |
InChIKey | P-502683561.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-502683561 | Innovapharm | Screening Compounds | 90 | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 429.088 |
logP | 4.8193 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 46.61 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 100.4045 |
Atoms | 36 |
Rings | 3 |
Heavy atoms | 24 |
Hydrogen atoms | 12 |
Heteroatoms | 7 |
N/O atoms | 4 |
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 |