Molecule

ID:29389

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO₃
Molecular Mass
335.82518
Exact Mass
335.12882125
Charge
0
InChI
InChI=1S/C18H22ClNO3/c1-14-13-15(19)3-8-18(14)23-10-9-20-16-4-6-17(7-5-16)22-12-11-21-2/h3-8,13,20H,9-12H2,1-2H3
InChIKey
XHLHAHNAGLWYKT-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1)NCCOc1ccc(cc1C)Cl
Isomeric Smiles
c1(c(ccc(c1)Cl)OCCNc1ccc(cc1)OCCOC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.8361623
LogD (pH = 7.4)
4.000338
Log P
4.002893
Molar Refractivity
94.1567
Polarizability
35.939327
Polar Surface Area
39.72
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation