P-34656800
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Name | File |
---|---|
SDF | P-34656800.sdf |
SMILES | P-34656800.smiles |
Standard InChI | P-34656800.inchi |
InChIKey | P-34656800.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-34656800 | Crea-Chim | HTS compounds | 90 | unavailable |
Property | Value |
---|---|
Components | 1 |
Mass | 419.346 |
logP | 6.131 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 96.25 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 93.2086 |
Atoms | 39 |
Rings | 3 |
Heavy atoms | 28 |
Hydrogen atoms | 11 |
Heteroatoms | 11 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 6 |
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 |