MCULE-1122257199
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Name | File |
---|---|
SDF | MCULE-1122257199.sdf |
SMILES | MCULE-1122257199.smiles |
Standard InChI | MCULE-1122257199.inchi |
InChIKey | MCULE-1122257199.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 428.521 |
logP | 4.8885 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 9 |
PSA | 58.64 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 129.3707 |
Atoms | 60 |
Rings | 4 |
Heavy atoms | 32 |
Hydrogen atoms | 28 |
Heteroatoms | 5 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |