Molecule

ID:129109

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₈O₂
Molecular Mass
298.50382
Exact Mass
298.28718046
Charge
0
InChI
InChI=1S/C19H38O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(20)21/h15-18H,6-14H2,1-5H3,(H,20,21)
InChIKey
PAHGJZDQXIOYTH-UHFFFAOYSA-N
Canonic Smiles
CC(CCCC(C(=O)O)C)CCCC(CCCC(C)C)C
Isomeric Smiles
O=C(O)C(CCCC(CCCC(C)CCCC(C)C)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
4.85
LogD (pH = 5.5)
6.60
Log P
7.22
Rotatable Bonds
13
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
5.00
Polar Surface Area
37.30
Polarizability
38.98
Molar Refractivity
90.70
LOG S
-7.91
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