Molecule

ID:25

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₄
Molecular Mass
118.08804
Exact Mass
118.02660867
Charge
0
InChI
InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKey
KDYFGRWQOYBRFD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(=O)O
Isomeric Smiles
OC(=O)CCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.47
LogD (pH = 5.5)
-2.55
Log P
-0.40
Rotatable Bonds
3
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
3.55
Polar Surface Area
74.60
Polarizability
10.18
Molar Refractivity
23.54
LOG S
0.77
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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