MCULE-7837380486-0
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- InChI:
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1
MCULE-1909036193-0
- Component type: Main
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1
MCULE-5932450224-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-7837380486-0.sdf |
SMILES | MCULE-7837380486-0.smiles |
Standard InChI | MCULE-7837380486-0.inchi |
InChIKey | MCULE-7837380486-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-675486046 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-580010836 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-675256551 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-675523946 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 212.246 |
logP | -0.0067 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 65.91 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 44.555 |
Atoms | 19 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 5 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 1 |
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 |