Structure

InChI Key VPDULUNRSQWWJB-UHFFFAOYSA-N
Smiles Cl.Cl.Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O
InChI
InChI=1S/C22H32N2O2.2ClH/c25-21-11-10-20(18-22(21)26)13-17-24-15-7-2-1-6-14-23-16-12-19-8-4-3-5-9-19;;/h3-5,8-11,18,23-26H,1-2,6-7,12-17H2;2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H34Cl2N2O2
Molecular Weight 429.43
AlogP 3.62
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 13.0
Polar Surface Area 64.52
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Cross References

Resources Reference
ChEMBL CHEMBL3989581
FDA SRS 0VN909S60Y
PubChem 68603
SureChEMBL SCHEMBL123114