Molecule

ID:23487

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂O₃
Molecular Mass
342.43204
Exact Mass
342.1943427
Charge
0
InChI
InChI=1S/C20H26N2O3/c1-5-20(2,3)14-6-9-16(10-7-14)25-13-19(23)22-17-12-15(21)8-11-18(17)24-4/h6-12H,5,13,21H2,1-4H3,(H,22,23)
InChIKey
NGOUIJLNVCNKPE-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)OCC(=O)Nc1cc(N)ccc1OC)(C)C
Isomeric Smiles
c1(NC(=O)COc2ccc(C(CC)(C)C)cc2)cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
11.566123
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.6806066
LogD (pH = 7.4)
3.7301881
Log P
3.7308874
Molar Refractivity
101.3136
Polarizability
38.263798
Polar Surface Area
73.58
Rotatable Bonds
7
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