MCULE-9614077534
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- InChI:
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MCULE-9476329736
- Component type: Main
Name | File |
---|---|
SDF | MCULE-9614077534.sdf |
SMILES | MCULE-9614077534.smiles |
Standard InChI | MCULE-9614077534.inchi |
InChIKey | MCULE-9614077534.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 1081.223 |
logP | 6.5341 |
H-bond acceptors | 22 |
H-bond donors | 14 |
Rotatable bonds | 34 |
PSA | 374.63 |
RO5 violations | 4 |
RO3 violations | 6 |
Refractivity | 295.5483 |
Atoms | 147 |
Rings | 7 |
Heavy atoms | 79 |
Hydrogen atoms | 68 |
Heteroatoms | 22 |
N/O atoms | 22 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 7 |
R/S chiral centers | 7 |
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 |