Molecule

ID:2636

General Information
Structure
MolImage
Molecular Formula
C₅H₆O₅
Molecular Mass
146.09814
Exact Mass
146.02152329
Charge
0
InChI
InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKey
KPGXRSRHYNQIFN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(=O)C(=O)O
Isomeric Smiles
OC(=O)CCC(=O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.86
LogD (pH = 5.5)
-4.51
Log P
-0.11
Rotatable Bonds
4
H Donor
2
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
2.66
Polar Surface Area
91.67
Polarizability
12.16
Molar Refractivity
28.88
LOG S
0.29
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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