Molecule

ID:2485

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₈O₃
Molecular Mass
244.37032
Exact Mass
244.20384476
Charge
0
InChI
InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1
InChIKey
ATRNZOYKSNPPBF-CYBMUJFWSA-N
Canonic Smiles
CCCCCCCCCCC[C@H](CC(=O)O)O
Isomeric Smiles
C(=O)(C[C@@H](CCCCCCCCCCC)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
1.47
LogD (pH = 5.5)
3.25
Log P
4.14
Rotatable Bonds
12
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.67
Polar Surface Area
57.53
Polarizability
30.62
Molar Refractivity
69.40
LOG S
-4.70
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