Molecule

ID:136105

General Information
Structure
MolImage
Molecular Formula
C₃H₆O₃
Molecular Mass
91.07059484
Exact Mass
91.03504889
Charge
0
InChI
InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/i1+1
InChIKey
MNQZXJOMYWMBOU-OUBTZVSYSA-N
Canonic Smiles
OC([13CH]=O)CO
Isomeric Smiles
C(C([13CH]=O)O)O
Calculated Properties
JChem
Acid pKa
12.8040695
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.6773558
LogD (pH = 7.4)
-1.6773574
Log P
-1.6773558
Molar Refractivity
19.4581
Polarizability
7.7056212
Polar Surface Area
57.53
Rotatable Bonds
2
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