MCULE-9685648815
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Name | File |
---|---|
SDF | MCULE-9685648815.sdf |
SMILES | MCULE-9685648815.smiles |
Standard InChI | MCULE-9685648815.inchi |
InChIKey | MCULE-9685648815.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-8018787 | ChemBridge | Core Library | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 336.520 |
logP | 3.9829 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 89.9 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 96.3468 |
Atoms | 46 |
Rings | 2 |
Heavy atoms | 22 |
Hydrogen atoms | 24 |
Heteroatoms | 5 |
N/O atoms | 3 |
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 |