dibutyl phthalate

Ligand id: 6295

Name: dibutyl phthalate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 52.6
Molecular weight 278.15
XLogP 5.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Shiba T, Maruyama T, Kurohane K, Iwasaki Y, Watanabe T, Imai Y. (2009)
TRPA1 and TRPV1 activation is a novel adjuvant effect mechanism in contact hypersensitivity.
J. Neuroimmunol., 207 (1-2): 66-74. [PMID:19135264]