Molecule

ID:104244

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₅
Molecular Mass
162.1406
Exact Mass
162.05282342
Charge
0
InChI
InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4-10H,1H2
InChIKey
CXKKSSKKIOZUNR-UHFFFAOYSA-N
Canonic Smiles
OCC1OC=C(C(C1O)O)O
Isomeric Smiles
OCC1OC=C(O)C(O)C1O
Calculated Properties
JChem
Acid pKa
6.22669
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.3828454
LogD (pH = 7.4)
-3.5077925
Log P
-2.308187
Molar Refractivity
35.6714
Polarizability
14.182393
Polar Surface Area
90.15
Rotatable Bonds
1
Lipinski's Rule of Five
true
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