Martin, D.; Sild, S.; Maran, U.; Karelson, M. QSPR Modeling of the Polarizability of Polyaromatic Hydrocarbons and Fullerenes. J. Phys. Chem. C 2008, 112, 13, 4785–4790.
Compound
| ID: | 23BF | |
|---|---|---|
| Name: | 2,3-benzofluorene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 243-17-4 | |
| InChi Code: | InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2 |
Properties
p_abinitio: Ab initio calculated polarizability [Å^3]
| Value | Source or prediction |
|---|---|
| 29.2 |
experimental value |
| 28.5 |
Eq2: Main model (Training set) |
| 33.6 |
Model_nA: Additional model with descriptor - number of atoms (Training set) |
| 26.6 |
Model_nC: Additional model with descriptor - number of carbon atoms (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1022477 | US EPA CompTox Dashboard |