Molecule

ID:23375

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂O₂
Molecular Mass
326.43264
Exact Mass
326.19942808
Charge
0
InChI
InChI=1S/C20H26N2O2/c1-2-3-4-5-6-15-24-19-13-7-16(8-14-19)20(23)22-18-11-9-17(21)10-12-18/h7-14H,2-6,15,21H2,1H3,(H,22,23)
InChIKey
IATSXGFPGVFXBE-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1)N
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)c1ccc(cc1)OCCCCCCC
Calculated Properties
JChem
Acid pKa
12.846745
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.727183
LogD (pH = 7.4)
4.736023
Log P
4.7361383
Molar Refractivity
100.4317
Polarizability
37.651047
Polar Surface Area
64.35
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