MCULE-2028021547-0
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- SMILES:
- InChI:
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MCULE-3612403972-0
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Name | File |
---|---|
SDF | MCULE-2028021547-0.sdf |
SMILES | MCULE-2028021547-0.smiles |
Standard InChI | MCULE-2028021547-0.inchi |
InChIKey | MCULE-2028021547-0.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 125.126 |
logP | 0.5639 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 74.81 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 21.4974 |
Atoms | 12 |
Rings | 0 |
Heavy atoms | 7 |
Hydrogen atoms | 5 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |