MCULE-9257410705
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- InChI:
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MCULE-9751709595
- Component type: Main
Name | File |
---|---|
SDF | MCULE-9257410705.sdf |
SMILES | MCULE-9257410705.smiles |
Standard InChI | MCULE-9257410705.inchi |
InChIKey | MCULE-9257410705.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 478.030 |
logP | 5.4703 |
H-bond acceptors | 6 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 100.52 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 128.752 |
Atoms | 55 |
Rings | 4 |
Heavy atoms | 31 |
Hydrogen atoms | 24 |
Heteroatoms | 9 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |