Molecule

ID:125271

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₃
Molecular Mass
104.10452
Exact Mass
104.04734412
Charge
0
InChI
InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
InChIKey
AFENDNXGAFYKQO-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)O)O
Isomeric Smiles
O=C(O)C(O)CC
Calculated Properties
JChem
LogD (pH = 7.4)
-3.11
LogD (pH = 5.5)
-1.47
Log P
0.05
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.99
Polar Surface Area
57.53
Polarizability
9.98
Molar Refractivity
23.36
LOG S
-0.05
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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