Molecule

ID:90538

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₂
Molecular Mass
114.1424
Exact Mass
114.06807956
Charge
0
InChI
InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3
InChIKey
JBFHTYHTHYHCDJ-UHFFFAOYSA-N
Canonic Smiles
CCC1CCC(=O)O1
Isomeric Smiles
O1C(CC)CCC1=O
Calculated Properties
JChem
LogD (pH = 7.4)
1.09
LogD (pH = 5.5)
1.09
Log P
1.09
Rotatable Bonds
1
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.04
Polar Surface Area
26.30
Polarizability
12.16
Molar Refractivity
29.25
LOG S
-0.60
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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