Molecule

ID:136169

General Information
Structure
MolImage
Molecular Formula
C₃H₆O₃
Molecular Mass
91.07059484
Exact Mass
91.03504889
Charge
0
InChI
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1/i3+1
InChIKey
JVTAAEKCZFNVCJ-NSQKCYGPSA-N
Canonic Smiles
O[13C](=O)[C@@H](O)C
Isomeric Smiles
C[C@@H]([13C](=O)O)O
Calculated Properties
JChem
Acid pKa
3.7849424
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.1885695
LogD (pH = 7.4)
-3.7410624
Log P
-0.4718295
Molar Refractivity
18.8398
Polarizability
7.546188
Polar Surface Area
57.53
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