Molecule

ID:102772

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₆
Molecular Mass
150.08684
Exact Mass
150.01643791
Charge
0
InChI
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1
InChIKey
FEWJPZIEWOKRBE-JCYAYHJZSA-N
Canonic Smiles
O[C@H]([C@H](C(=O)O)O)C(=O)O
Isomeric Smiles
O=C(O)[C@H](O)[C@@H](O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-7.89
LogD (pH = 5.5)
-5.32
Log P
-1.83
Rotatable Bonds
3
H Donor
4
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
2.72
Polar Surface Area
115.06
Polarizability
11.60
Molar Refractivity
26.21
LOG S
0.39
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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