3-methylhexanal


SMILES CCCC(C)CC=O
InChIKey ZSJUABCTGCNBPF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 114.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Human Vasopressin and oxytocin A pKi 7.8 7.8 7.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Human Vasopressin and oxytocin A pEC50 5.96 5.96 5.96 ChEMBL