summaryrefslogtreecommitdiff
path: root/inst/examples/octanol.R
blob: 3e42c38e6e085756057dbb31e732e414a9f96810 (plain) (blame) 
1
2
3

oct <- chent$new("1-octanol", smiles = "CCCCCCCCO")
print(oct)
plot(oct)

Contact - Imprint