Molecule

ID:2971

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀O₄
Molecular Mass
122.1198
Exact Mass
122.0579088
Charge
0
InChI
InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m0/s1
InChIKey
UNXHWFMMPAWVPI-IMJSIDKUSA-N
Canonic Smiles
OC[C@@H]([C@H](CO)O)O
Isomeric Smiles
OC[C@H](O)[C@@H](O)CO
Calculated Properties
JChem
Acid pKa
13.044993
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-2.469349
LogD (pH = 7.4)
-2.4693499
Log P
-2.469349
Molar Refractivity
26.4786
Polarizability
10.746415
Polar Surface Area
80.92
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-2.03
LOG S
0.98
Solubility (Water)
1.16e+03 g/l
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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