Molecule

ID:89523

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₈O₂
Molecular Mass
310.51452
Exact Mass
310.28718046
Charge
0
InChI
InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18H,6-14H2,1-5H3,(H,21,22)
InChIKey
WDWBNNBRPVEEOD-UHFFFAOYSA-N
Canonic Smiles
CC(CCC/C(=C/C(=O)O)/C)CCCC(CCCC(C)C)C
Isomeric Smiles
O=C(/C=C(/CCCC(CCCC(C)CCCC(C)C)C)\C)O
Calculated Properties
JChem
Acid pKa
5.11781
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.826257
LogD (pH = 7.4)
5.0982785
Log P
7.3588247
Molar Refractivity
96.1047
Polarizability
37.85601
Polar Surface Area
37.3
Rotatable Bonds
13
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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