MCULE-5927985888
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- SMILES:
- InChI:
- Formula:
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1
MCULE-2400970631
- Component type: Main
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1
MCULE-9925206507
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5927985888.sdf |
SMILES | MCULE-5927985888.smiles |
Standard InChI | MCULE-5927985888.inchi |
InChIKey | MCULE-5927985888.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-856009290 | Key Organics | Biochemicals | 95 | Main component | unavailable |
Property | Value |
---|---|
Components | 2 |
Mass | 793.019 |
logP | 2.18288 |
H-bond acceptors | 15 |
H-bond donors | 5 |
Rotatable bonds | 7 |
PSA | 256.5 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 203.959 |
Atoms | 122 |
Rings | 3 |
Heavy atoms | 54 |
Hydrogen atoms | 68 |
Heteroatoms | 16 |
N/O atoms | 15 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 18 |
R/S chiral centers | 17 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |