MCULE-1637015037
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- SMILES:
- InChI:
- Formula:
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1
MCULE-2919817854
- Component type: Counter Ion
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1
MCULE-4468373250
- Component type: Unknown
Name | File |
---|---|
SDF | MCULE-1637015037.sdf |
SMILES | MCULE-1637015037.smiles |
Standard InChI | MCULE-1637015037.inchi |
InChIKey | MCULE-1637015037.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-33309359 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 613.553 |
logP | 2.7584 |
H-bond acceptors | 7 |
H-bond donors | 0 |
Rotatable bonds | 8 |
PSA | 55.12 |
RO5 violations | 1 |
RO3 violations | 3 |
Refractivity | 192.599 |
Atoms | 86 |
Rings | 7 |
Heavy atoms | 46 |
Hydrogen atoms | 40 |
Heteroatoms | 8 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |