MCULE-4613240449
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Name | File |
---|---|
SDF | MCULE-4613240449.sdf |
SMILES | MCULE-4613240449.smiles |
Standard InChI | MCULE-4613240449.inchi |
InChIKey | MCULE-4613240449.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-504637502 | ChemBridge | RUSH - CORE LIBRARY | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 276.313 |
logP | 2.2352 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 88.69 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 70.4672 |
Atoms | 31 |
Rings | 3 |
Heavy atoms | 19 |
Hydrogen atoms | 12 |
Heteroatoms | 6 |
N/O atoms | 5 |
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 |