Molecule

ID:102960

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₄
Molecular Mass
146.1412
Exact Mass
146.0579088
Charge
0
InChI
InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKey
WNLRTRBMVRJNCN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCC(=O)O
Isomeric Smiles
OC(=O)CCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.39
LogD (pH = 5.5)
-1.95
Log P
0.49
Rotatable Bonds
5
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
3.92
Polar Surface Area
74.60
Polarizability
14.24
Molar Refractivity
32.74
LOG S
0.15
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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