Molecule

ID:111757

General Information
Structure
MolImage
Molecular Formula
C₄H₄O₄
Molecular Mass
116.07216
Exact Mass
116.01095861
Charge
0
InChI
InChI=1S/C4H4O4/c5-3-1-7-2-4(6)8-3/h1-2H2
InChIKey
PIYNUZCGMLCXKJ-UHFFFAOYSA-N
Canonic Smiles
O=C1COCC(=O)O1
Isomeric Smiles
O=C1COCC(=O)O1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.78531194
LogD (pH = 7.4)
-0.78531194
Log P
-0.78531194
Molar Refractivity
21.9763
Polarizability
9.14473
Polar Surface Area
52.6
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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