P-503967479
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Name | File |
---|---|
SDF | P-503967479.sdf |
SMILES | P-503967479.smiles |
Standard InChI | P-503967479.inchi |
InChIKey | P-503967479.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-503967479 | Innovapharm | Virtual Screening Compounds | 90 | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 359.887 |
logP | 5.9509 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 38.33 |
RO5 violations | 1 |
RO3 violations | 3 |
Refractivity | 105.9037 |
Atoms | 51 |
Rings | 2 |
Heavy atoms | 25 |
Hydrogen atoms | 26 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 |