MCULE-5624987267
- InChIKey:
- SMILES:
- InChI:
- Formula:
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2
MCULE-4366439616
- Component type: Main
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1
MCULE-5889111640
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5624987267.sdf |
SMILES | MCULE-5624987267.smiles |
Standard InChI | MCULE-5624987267.inchi |
InChIKey | MCULE-5624987267.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-489149349 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
Property | Value |
---|---|
Components | 3 |
Mass | 773.699 |
logP | 0.5022 |
H-bond acceptors | 12 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 135.94 |
RO5 violations | 2 |
RO3 violations | 3 |
Refractivity | 231.733 |
Atoms | 96 |
Rings | 8 |
Heavy atoms | 54 |
Hydrogen atoms | 42 |
Heteroatoms | 14 |
N/O atoms | 12 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |