P-675517785
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Name | File |
---|---|
SDF | P-675517785.sdf |
SMILES | P-675517785.smiles |
Standard InChI | P-675517785.inchi |
InChIKey | P-675517785.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-675517785 | Innovapharm | Virtual Screening Compounds | 90 | by synthesis |
Property | Value |
---|---|
Components | 3 |
Mass | 567.567 |
logP | 1.0377 |
H-bond acceptors | 14 |
H-bond donors | 5 |
Rotatable bonds | 10 |
PSA | 239.32 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 146.2404 |
Atoms | 68 |
Rings | 3 |
Heavy atoms | 39 |
Hydrogen atoms | 29 |
Heteroatoms | 15 |
N/O atoms | 14 |
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 |