Molecule

ID:29234

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO₂
Molecular Mass
319.82578
Exact Mass
319.13390663
Charge
0
InChI
InChI=1S/C18H22ClNO2/c1-3-4-11-22-17-8-6-5-7-14(17)13-20-15-9-10-18(21-2)16(19)12-15/h5-10,12,20H,3-4,11,13H2,1-2H3
InChIKey
XJVRHAHZUSYOIC-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccccc1CNc1ccc(c(c1)Cl)OC
Isomeric Smiles
c1(cc(NCc2c(OCCCC)cccc2)ccc1OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.74718
LogD (pH = 7.4)
4.782627
Log P
4.783098
Molar Refractivity
92.4692
Polarizability
35.34219
Polar Surface Area
30.49
Rotatable Bonds
8
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