MCULE-3790383505-0
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1
MCULE-3597257565-0
- Component type: Main
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2
MCULE-7907563410-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3790383505-0.sdf |
SMILES | MCULE-3790383505-0.smiles |
Standard InChI | MCULE-3790383505-0.inchi |
InChIKey | MCULE-3790383505-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867456367 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-870650663 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component as a main component | in stock |
P-870650666 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component as a main component | in stock |
P-870650681 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component as a main component | in stock |
P-885550747 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
Property | Value |
---|---|
Components | 3 |
Mass | 610.738 |
logP | -1.3904 |
H-bond acceptors | 12 |
H-bond donors | 3 |
Rotatable bonds | 9 |
PSA | 242.22 |
RO5 violations | 2 |
RO3 violations | 4 |
Refractivity | 52.6564 |
Atoms | 32 |
Rings | 0 |
Heavy atoms | 22 |
Hydrogen atoms | 10 |
Heteroatoms | 16 |
N/O atoms | 12 |
Inorganic atoms | 2 |
Halogen atoms | 0 |
Chiral centers | 3 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 3 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |