Structure

InChI Key SYCBXBCPLUFJID-UHFFFAOYSA-N
Smile CCCCOc1ccc(OCCCN2CCOCC2)cc1.Cl
InChI
InChI=1S/C17H27NO3.ClH/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18;/h5-8H,2-4,9-15H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H28ClNO3
Molecular Weight 329.87
AlogP 2.97
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 9.0
Polar Surface Area 30.93
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 8358
ChEMBL CHEMBL1201171
EPA CompTox DTXSID2047777
FDA SRS 88AYB867L5
PubChem 73957
SureChEMBL SCHEMBL180542