MCULE-9967058288
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- SMILES:
- InChI:
- Formula:
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1
MCULE-4151384399
- Component type: Main
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1
MCULE-6647815245
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9967058288.sdf |
SMILES | MCULE-9967058288.smiles |
Standard InChI | MCULE-9967058288.inchi |
InChIKey | MCULE-9967058288.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-6100667 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 364.217 |
logP | 2.9516 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 87.07 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 91.7646 |
Atoms | 42 |
Rings | 2 |
Heavy atoms | 23 |
Hydrogen atoms | 19 |
Heteroatoms | 8 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |