Structure

InChI Key XYGSFNHCFFAJPO-UHFFFAOYSA-N
Smiles CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl.Cl
InChI
InChI=1S/C17H20ClNO.ClH/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18;/h3-11,20H,12-13H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H21Cl2NO
Molecular Weight 326.27
AlogP 3.53
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Cross References

Resources Reference
ChEBI 31392
ChEMBL CHEMBL1200972
FDA SRS 69QQ58998Y
PubChem 83813
SureChEMBL SCHEMBL157943