Structure

InChI Key VYFLPFGUVGMBEP-UHFFFAOYSA-N
Smiles COc1ccc(CN2CCNCC2)c(OC)c1OC.Cl.Cl
InChI
InChI=1S/C14H22N2O3.2ClH/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16;;/h4-5,15H,6-10H2,1-3H3;2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H24Cl2N2O3
Molecular Weight 339.26
AlogP 1.12
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 42.96
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Cross References

Resources Reference
ChEBI 32262
ChEMBL CHEMBL3561076
FDA SRS 48V6723Z1P
SureChEMBL SCHEMBL580378