Molecule

ID:24433

General Information
Structure
MolImage
Molecular Formula
C₂₁H₄₄N₂O
Molecular Mass
340.58686
Exact Mass
340.34536404
Charge
0
InChI
InChI=1S/C21H44N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21(24)23-4-2/h22H,3-20H2,1-2H3,(H,23,24)
InChIKey
WRFODTCDGKTXNO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCNCCC(=O)NCC
Isomeric Smiles
C(=O)(CCNCCCCCCCCCCCCCCCC)NCC
Calculated Properties
JChem
Acid pKa
16.307173
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.742683
LogD (pH = 7.4)
3.540091
Log P
5.954382
Molar Refractivity
106.0305
Polarizability
42.178127
Polar Surface Area
41.13
Rotatable Bonds
19
Lipinski's Rule of Five
false
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