MCULE-5866074533
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- SMILES:
- InChI:
- Formula:
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1
MCULE-5303033014
- Component type: Main
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1
MCULE-3867000095
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5866074533.sdf |
SMILES | MCULE-5866074533.smiles |
Standard InChI | MCULE-5866074533.inchi |
InChIKey | MCULE-5866074533.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-33325916 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 437.490 |
logP | 1.5961 |
H-bond acceptors | 11 |
H-bond donors | 5 |
Rotatable bonds | 13 |
PSA | 170.69 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 113.7299 |
Atoms | 62 |
Rings | 2 |
Heavy atoms | 31 |
Hydrogen atoms | 31 |
Heteroatoms | 11 |
N/O atoms | 11 |
Inorganic atoms | 0 |
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 |