MCULE-8456902228
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- SMILES:
- InChI:
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1
MCULE-7241298488
- Component type: Main
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1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8456902228.sdf |
SMILES | MCULE-8456902228.smiles |
Standard InChI | MCULE-8456902228.inchi |
InChIKey | MCULE-8456902228.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-4328536 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 271.781 |
logP | 3.3517 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 7 |
PSA | 38.33 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 76.1087 |
Atoms | 40 |
Rings | 1 |
Heavy atoms | 18 |
Hydrogen atoms | 22 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |