Molecule

ID:66926

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₈NNaO₃
Molecular Mass
375.52109
Exact Mass
375.27493836
Charge
0
InChI
InChI=1S/C21H39NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(23)22-18-15-16-19(22)21(24)25;/h19H,2-18H2,1H3,(H,24,25);/q;+1/p-1/t19-;/m0./s1
InChIKey
GJIFNLAZXVYJDI-FYZYNONXSA-M
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)[O-].[Na+]
Isomeric Smiles
[Na+].C(=O)([C@H]1N(CCC1)C(=O)CCCCCCCCCCCCCCC)[O-]
Calculated Properties
JChem
Acid pKa
4.0581145
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.5389524
LogD (pH = 7.4)
2.8679326
Log P
5.992729
Molar Refractivity
112.9072
Polarizability
40.28529
Polar Surface Area
60.44
Rotatable Bonds
15
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