Molecule

ID:3260

General Information
Structure
Molecular Formula
C₁₀H₂₀O₂
Molecular Mass
172.2646
Exact Mass
172.14632988
Charge
0
InChI
InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
InChIKey
GHVNFZFCNZKVNT-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCC(=O)O
Isomeric Smiles
C(=O)(CCCCCCCCC)O
Calculated Properties
JChem
LogD (pH = 7.4)
1.17
LogD (pH = 5.5)
2.93
Log P
3.59
Rotatable Bonds
8
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.95
Polar Surface Area
37.30
Polarizability
21.60
Molar Refractivity
49.48
LOG S
-3.54
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation