P-856009290
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Name | File |
---|---|
SDF | P-856009290.sdf |
SMILES | P-856009290.smiles |
Standard InChI | P-856009290.inchi |
InChIKey | P-856009290.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-856009290 | Key Organics | Biochemicals | 95 | unavailable |
Property | Value |
---|---|
Components | 1 |
Mass | 733.926 |
logP | 1.7856 |
H-bond acceptors | 14 |
H-bond donors | 5 |
Rotatable bonds | 7 |
PSA | 193.91 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 189.36 |
Atoms | 118 |
Rings | 3 |
Heavy atoms | 51 |
Hydrogen atoms | 67 |
Heteroatoms | 14 |
N/O atoms | 14 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 18 |
R/S chiral centers | 17 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |