MCULE-1405914351
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- SMILES:
- InChI:
- Formula:
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1
MCULE-5287176317
- Component type: Main
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1
MCULE-2199051150
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-1405914351.sdf |
SMILES | MCULE-1405914351.smiles |
Standard InChI | MCULE-1405914351.inchi |
InChIKey | MCULE-1405914351.txt |
Property | Value |
---|---|
Components | 2 |
Mass | 246.386 |
logP | 3.8448 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 8 |
PSA | 57.53 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 74.4596 |
Atoms | 47 |
Rings | 0 |
Heavy atoms | 17 |
Hydrogen atoms | 30 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |