P-5179668
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Name | File |
---|---|
SDF | P-5179668.sdf |
SMILES | P-5179668.smiles |
Standard InChI | P-5179668.inchi |
InChIKey | P-5179668.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-5179668 | ChemDiv | Discovery Chemistry Library | 90 | unavailable |
Property | Value |
---|---|
Components | 1 |
Mass | 280.388 |
logP | 3.1874 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 86.44 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 78.6739 |
Atoms | 39 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 20 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |