P-596344212
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Name | File |
---|---|
SDF | P-596344212.sdf |
SMILES | P-596344212.smiles |
Standard InChI | P-596344212.inchi |
InChIKey | P-596344212.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-596344212 | Asinex | General screening catalog | 90 | unavailable |
Property | Value |
---|---|
Components | 1 |
Mass | 318.749 |
logP | 3.3078 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 8 |
PSA | 52.6 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 82.932 |
Atoms | 37 |
Rings | 2 |
Heavy atoms | 22 |
Hydrogen atoms | 15 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |