Molecule

ID:127588

General Information
Structure
MolImage
Molecular Formula
C₃H₆O₄
Molecular Mass
106.07734
Exact Mass
106.02660867
Charge
0
InChI
InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)
InChIKey
RBNPOMFGQQGHHO-UHFFFAOYSA-N
Canonic Smiles
OCC(C(=O)O)O
Isomeric Smiles
C(C(C(=O)O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.92
LogD (pH = 5.5)
-3.59
Log P
-1.52
Rotatable Bonds
2
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
3.42
Polar Surface Area
77.76
Polarizability
8.96
Molar Refractivity
20.38
LOG S
0.75
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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