Property name | Tool | Property value |
---|
Molecular weight (g/mol) | RDKit | 410.42 |
Log P | RDKit | 3.71 |
Topological polar surface area (Å2) | RDKit | 83.45 |
Number of hydrogen bond acceptors | RDKit | 7 |
Number of hydrogen bond donors | RDKit | 1 |
Number of carbon atoms | RDKit | 23 |
Number of heavy atoms | RDKit | 30 |
Number of heteroatoms | RDKit | 7 |
Number of nitrogen atoms | RDKit | 0 |
Number of sulfur atoms | RDKit | 0 |
Number of chiral carbon atoms | RDKit | 2 |
Stereochemical complexity | RDKit | 0.09 |
Number of sp hybridized carbon atoms | RDKit | 0 |
Number of sp2 hybridized carbon atoms | RDKit | 15 |
Number of sp3 hybridized carbon atoms | RDKit | 8 |
Shape complexity | RDKit | 0.35 |
Number of rotatable bonds | RDKit | 2 |
Number of aliphatic carbocycles | RDKit | 0 |
Number of aliphatic heterocycles | RDKit | 3 |
Number of aliphatic rings | RDKit | 3 |
Number of aromatic carbocycles | RDKit | 2 |
Number of aromatic heterocycles | RDKit | 0 |
Number of aromatic rings | RDKit | 2 |
Total number of rings | RDKit | 5 |
Number of saturated carbocycles | RDKit | 0 |
Number of saturated heterocycles | RDKit | 0 |
Number of saturated rings | RDKit | 0 |
Number of Smallest Set of Smallest Rings (SSSR) | RDKit | 5 |