Structure

InChI Key VPDULUNRSQWWJB-UHFFFAOYSA-N
Smile 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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3989581
EPA CompTox DTXSID40235591
FDA SRS 0VN909S60Y
PubChem 68603
SureChEMBL SCHEMBL123114