P-895180059
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Name | File |
---|---|
SDF | P-895180059.sdf |
SMILES | P-895180059.smiles |
Standard InChI | P-895180059.inchi |
InChIKey | P-895180059.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-895180059 | MedChemExpress | Natural Products on demand | 95 | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 389.827 |
logP | 3.2972 |
H-bond acceptors | 6 |
H-bond donors | 0 |
Rotatable bonds | 0 |
PSA | 57.23 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 104.4575 |
Atoms | 47 |
Rings | 5 |
Heavy atoms | 27 |
Hydrogen atoms | 20 |
Heteroatoms | 7 |
N/O atoms | 6 |
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 |