Molecule

ID:107379

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₄
Molecular Mass
146.1412
Exact Mass
146.0579088
Charge
0
InChI
InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKey
AQYCMVICBNBXNA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(C(=O)O)C
Isomeric Smiles
CC(CCC(=O)O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.32
LogD (pH = 5.5)
-1.90
Log P
0.59
Rotatable Bonds
4
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
3.89
Polar Surface Area
74.60
Polarizability
13.96
Molar Refractivity
32.71
LOG S
-0.02
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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