MCULE-4390153223
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- SMILES:
- InChI:
- Formula:
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1
MCULE-5814876948
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-4390153223.sdf |
SMILES | MCULE-4390153223.smiles |
Standard InChI | MCULE-4390153223.inchi |
InChIKey | MCULE-4390153223.txt |
Property | Value |
---|---|
Components | 2 |
Mass | 430.969 |
logP | -0.3105 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 8 |
PSA | 61.44 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 132.8924 |
Atoms | 61 |
Rings | 3 |
Heavy atoms | 30 |
Hydrogen atoms | 31 |
Heteroatoms | 7 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |