Molecule

ID:3934

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀O₅
Molecular Mass
208.2521
Exact Mass
208.13107374
Charge
0
InChI
InChI=1S/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3
InChIKey
ZNYRFEPBTVGZDN-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOCCOCCO
Isomeric Smiles
COCCOCCOCCOCCO
Calculated Properties
JChem
Acid pKa
15.121156
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.70647913
LogD (pH = 7.4)
-0.70647913
Log P
-0.7064791
Molar Refractivity
52.4353
Polarizability
20.780382
Polar Surface Area
57.15
Rotatable Bonds
11
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-0.42
LOG S
-0.82
Solubility (Water)
3.18e+01 g/l
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