P-31152654
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Name | File |
---|---|
SDF | P-31152654.sdf |
SMILES | P-31152654.smiles |
Standard InChI | P-31152654.inchi |
InChIKey | P-31152654.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-31152654 | LaboTest | Screening Collection | 90 | unavailable |
Property | Value |
---|---|
Components | 1 |
Mass | 246.560 |
logP | 2.901 |
H-bond acceptors | 8 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 128.94 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 56.0553 |
Atoms | 19 |
Rings | 1 |
Heavy atoms | 16 |
Hydrogen atoms | 3 |
Heteroatoms | 9 |
N/O atoms | 8 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |