P-502536368
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Name | File |
---|---|
SDF | P-502536368.sdf |
SMILES | P-502536368.smiles |
Standard InChI | P-502536368.inchi |
InChIKey | P-502536368.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-502536368 | Innovapharm | Virtual Building Blocks | 95 | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 281.330 |
logP | 4.1753 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 78.43 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 79.9453 |
Atoms | 31 |
Rings | 3 |
Heavy atoms | 20 |
Hydrogen atoms | 11 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 |