6-Cl-MLT   

GtoPdb Ligand ID: 1346

Synonyms: 6-chloromelatonin | 6-Cl-melatonin
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 54.12
Molecular weight 266.08
XLogP 2.22
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1cc2c(CCNC(=O)C)c[nH]c2cc1Cl
Isomeric SMILES COc1cc2c(CCNC(=O)C)c[nH]c2cc1Cl
InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
InChI Key LUINDDOUWHRIPW-UHFFFAOYSA-N