MCULE-3373056737-0
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- InChI:
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1
MCULE-1222841438-0
- Component type: Main
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1
MCULE-7907563410-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3373056737-0.sdf |
SMILES | MCULE-3373056737-0.smiles |
Standard InChI | MCULE-3373056737-0.inchi |
InChIKey | MCULE-3373056737-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893149437 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-870650770 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-870650834 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 397.463 |
logP | -2.592 |
H-bond acceptors | 9 |
H-bond donors | 5 |
Rotatable bonds | 7 |
PSA | 183.38 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 45.7725 |
Atoms | 30 |
Rings | 0 |
Heavy atoms | 17 |
Hydrogen atoms | 13 |
Heteroatoms | 11 |
N/O atoms | 9 |
Inorganic atoms | 1 |
Halogen atoms | 0 |
Chiral centers | 4 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 4 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |