Molecule

ID:3250

General Information
Structure
MolImage
Molecular Formula
C₃H₂O₅
Molecular Mass
118.04498
Exact Mass
117.99022316
Charge
0
InChI
InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)
InChIKey
XEEVLJKYYUVTRC-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=O)O)C(=O)O
Isomeric Smiles
OC(=O)C(=O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-7.00
LogD (pH = 5.5)
-6.09
Log P
0.03
Rotatable Bonds
2
H Donor
2
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
1.56
Polar Surface Area
91.67
Polarizability
8.25
Molar Refractivity
19.78
LOG S
-0.11
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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