MCULE-5456512647
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- SMILES:
- InChI:
- Formula:
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1
MCULE-2919817854
- Component type: Counter Ion
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1
MCULE-3497712421
- Component type: Unknown
Name | File |
---|---|
SDF | MCULE-5456512647.sdf |
SMILES | MCULE-5456512647.smiles |
Standard InChI | MCULE-5456512647.inchi |
InChIKey | MCULE-5456512647.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-33972770 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 567.611 |
logP | 6.4147 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 7 |
PSA | 13.11 |
RO5 violations | 2 |
RO3 violations | 3 |
Refractivity | 187.732 |
Atoms | 89 |
Rings | 6 |
Heavy atoms | 43 |
Hydrogen atoms | 46 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 3 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 3 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |