Molecule

ID:90970

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₂
Molecular Mass
114.1424
Exact Mass
114.06807956
Charge
0
InChI
InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)
InChIKey
QAOXMQCWUWZZNC-UHFFFAOYSA-N
Canonic Smiles
CC(/C=C/C(=O)O)C
Isomeric Smiles
OC(=O)/C=C/C(C)C
Calculated Properties
JChem
Acid pKa
5.1246214
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1234012
LogD (pH = 7.4)
-0.6029627
Log P
1.65117
Molar Refractivity
32.1145
Polarizability
12.059587
Polar Surface Area
37.3
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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