P-617825837
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Name | File |
---|---|
SDF | P-617825837.sdf |
SMILES | P-617825837.smiles |
Standard InChI | P-617825837.inchi |
InChIKey | P-617825837.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-617825837 | InterBioScreen | Screening Compounds | 92 | unavailable |
Property | Value |
---|---|
Components | 1 |
Mass | 434.487 |
logP | 3.1387 |
H-bond acceptors | 8 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 90.98 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 130.4424 |
Atoms | 58 |
Rings | 4 |
Heavy atoms | 32 |
Hydrogen atoms | 26 |
Heteroatoms | 8 |
N/O atoms | 8 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |