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: | FA | |
|---|---|---|
| Name: | fluoranthene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 206-44-0 | |
| InChi Code: | InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H |
Properties
p_abinitio: Ab initio calculated polarizability [Å^3]
| Value | Source or prediction |
|---|---|
| 26.4 |
experimental value |
| 26.4 |
Eq2: Main model (Training set) |
| 29.1 |
Model_nA: Additional model with descriptor - number of atoms (Training set) |
| 25.2 |
Model_nC: Additional model with descriptor - number of carbon atoms (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3024104 | US EPA CompTox Dashboard |