| Characteristics |
Properties |
| Molecular weight |
286.27782 [g/mol] |
| Molecular formula |
C13H18O7 |
| H-bond donor |
5 |
| H-bond acceptor |
7 |
| Exact mass |
286.105253 |
| Monoisotopic mass |
286.105253 |
| Topological polar surface area |
120 |
| Covalently-bonded unit count |
1 |
| Feature 3D acceptor count |
7 |
| Feature 3D donor count |
5 |
| Feature 3D ring count |
2 |
| Effective rotor count |
5.2 |
| Conformer sampling RMSD |
0.8 |
|
