Molecule

ID:132628

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₈O₃
Molecular Mass
314.50322
Exact Mass
314.28209508
Charge
0
InChI
InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h18,20H,3-17H2,1-2H3
InChIKey
OUFCLLRNNJZLOX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCC(C(=O)OC)O
Isomeric Smiles
CCCCCCCCCCCCCCCCC(C(=O)OC)O
Calculated Properties
JChem
Acid pKa
12.708267
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.4205484
LogD (pH = 7.4)
6.420546
Log P
6.4205484
Molar Refractivity
92.5469
Polarizability
37.109238
Polar Surface Area
46.53
Rotatable Bonds
17
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