MCULE-5707895506
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- SMILES:
- InChI:
- Formula:
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1
MCULE-3867000095
- Component type: Counter Ion
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1
MCULE-8391268446
- Component type: Unknown
Name | File |
---|---|
SDF | MCULE-5707895506.sdf |
SMILES | MCULE-5707895506.smiles |
Standard InChI | MCULE-5707895506.inchi |
InChIKey | MCULE-5707895506.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867440822 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-502385817 | TimTec | Building Block Collection | 90 | As is | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 206.764 |
logP | -4.792 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 120.72 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 23.3246 |
Atoms | 15 |
Rings | 0 |
Heavy atoms | 11 |
Hydrogen atoms | 4 |
Heteroatoms | 7 |
N/O atoms | 6 |
Inorganic atoms | 1 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |