Molecule

ID:132814

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₄O₂
Molecular Mass
270.45066
Exact Mass
270.25588033
Charge
0
InChI
InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
InChIKey
FXUKWLSZZHVEJD-UHFFFAOYSA-N
Canonic Smiles
CCC(CCCCCCCCCCCCC(=O)O)C
Isomeric Smiles
CCC(C)CCCCCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
4.13
LogD (pH = 5.5)
5.89
Log P
6.54
Rotatable Bonds
14
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.95
Polar Surface Area
37.30
Polarizability
36.06
Molar Refractivity
81.63
LOG S
-7.10
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
References
Bioactivity
Navigation