MCULE-1986861293
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- InChI:
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MCULE-6820859406
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1986861293.sdf |
SMILES | MCULE-1986861293.smiles |
Standard InChI | MCULE-1986861293.inchi |
InChIKey | MCULE-1986861293.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-33399621 | TimTec | ActiMol 2 Week | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 503.592 |
logP | 5.9401 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 7 |
PSA | 42.86 |
RO5 violations | 2 |
RO3 violations | 3 |
Refractivity | 160.187 |
Atoms | 69 |
Rings | 6 |
Heavy atoms | 37 |
Hydrogen atoms | 32 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |