4-[(E)-2-Phenylvinyl]benzaldehyde

4-[(E)-2-Phenylvinyl]benzaldehyde Structure
4-[(E)-2-Phenylvinyl]benzaldehyde structure
Common Name 4-[(E)-2-Phenylvinyl]benzaldehyde
CAS Number 40200-69-9 Molecular Weight 208.255
Density 1.1±0.1 g/cm3 Boiling Point 361.9±22.0 °C at 760 mmHg
Molecular Formula C15H12O Melting Point 112-114 ℃(lit.)
MSDS USA Flash Point 202.9±8.6 °C
Symbol GHS07
GHS07
Signal Word Warning

Prediction of ligand binding affinity using a multiple-conformations-multiple-protonation scheme: application to estrogen receptor α.

Chem. Pharm. Bull. 60(2) , 183-94, (2012)

A fast method that can predict the binding affinities of chemicals to a target protein with a high degree of accuracy will be very useful in drug design and regulatory science. We have been developing a scoring function for affinity prediction, which can be a...