Structure

InChI Key SXNZJEKZKUJFLV-UHFFFAOYSA-N
Smiles Nc1c2c(nc3c1CCCC3)CCCC2.O=C(O)CCC(=O)O
InChI
InChI=1S/C13H18N2.C4H6O4/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;5-3(6)1-2-4(7)8/h1-8H2,(H2,14,15);1-2H2,(H,5,6)(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H24N2O4
Molecular Weight 320.39
AlogP 2.42
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 38.91
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 15.0

Cross References

Resources Reference
ChEMBL CHEMBL4297411
FDA SRS O90FM8614H
PubChem 44250206