Molecule

ID:63776

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆O₂
Molecular Mass
262.38714
Exact Mass
262.19328007
Charge
0
InChI
InChI=1S/C17H26O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14H,1-6,8,11-12,15H2,(H,18,19)
InChIKey
AUQIXRHHSITZFM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCCCc1ccccc1
Isomeric Smiles
C(CCC(=O)O)CCCCCCCc1ccccc1
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.9563065
LogD (pH = 7.4)
3.1971714
Log P
5.612112
Molar Refractivity
78.7746
Polarizability
31.030203
Polar Surface Area
37.3
Rotatable Bonds
11
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