Molecule

ID:125278

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₃
Molecular Mass
102.08864
Exact Mass
102.03169405
Charge
0
InChI
InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)
InChIKey
VOKUMXABRRXHAR-UHFFFAOYSA-N
Canonic Smiles
O=CC(C(=O)O)C
Isomeric Smiles
O=CC(C(=O)O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-3.12
LogD (pH = 5.5)
-1.47
Log P
0.05
Rotatable Bonds
2
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.98
Polar Surface Area
54.37
Polarizability
9.18
Molar Refractivity
22.64
LOG S
0.29
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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