Molecule

ID:103443

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂O₄
Molecular Mass
136.14638
Exact Mass
136.07355886
Charge
0
InChI
InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2
InChIKey
WXZMFSXDPGVJKK-UHFFFAOYSA-N
Canonic Smiles
OCC(CO)(CO)CO
Isomeric Smiles
OCC(CO)(CO)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-2.74
LogD (pH = 5.5)
-2.74
Log P
-2.74
Rotatable Bonds
4
H Donor
4
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
14.30
Polar Surface Area
80.92
Polarizability
13.53
Molar Refractivity
31.73
LOG S
2.05
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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