P-33824777
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Name | File |
---|---|
SDF | P-33824777.sdf |
SMILES | P-33824777.smiles |
Standard InChI | P-33824777.inchi |
InChIKey | P-33824777.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-33824777 | TimTec | ActiMol 6 Week | 90 | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 412.565 |
logP | 6.774 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 8 |
PSA | 27.05 |
RO5 violations | 1 |
RO3 violations | 3 |
Refractivity | 130.428 |
Atoms | 63 |
Rings | 4 |
Heavy atoms | 31 |
Hydrogen atoms | 32 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |