MCULE-5560036936
- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-6786072697
- Component type: Main
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1
MCULE-5726619687
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5560036936.sdf |
SMILES | MCULE-5560036936.smiles |
Standard InChI | MCULE-5560036936.inchi |
InChIKey | MCULE-5560036936.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-580377100 | Debye Scientific | General Catalog | N/A | Main component as a main component | by resynthesis (? - ? days) |
P-580377104 | Debye Scientific | General Catalog | N/A | Main component as a main component | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 2 |
Mass | 718.168 |
logP | 15.0459 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 39 |
PSA | 90.4 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 223.92 |
Atoms | 141 |
Rings | 0 |
Heavy atoms | 49 |
Hydrogen atoms | 92 |
Heteroatoms | 6 |
N/O atoms | 5 |
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 |