Molecule
ID:109253
General Information
Molecular Formula
C₈H₁₄O₂
Molecular Mass
142.19556
Exact Mass
142.09937969
Charge
0
InChI
InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)
InChIKey
IWPOSDLLFZKGOW-UHFFFAOYSA-N
Canonic Smiles
CCCC/C=C/CC(=O)O
Isomeric Smiles
CCCC/C=C/CC(=O)O
Calculated Properties
JChem
Acid pKa
5.054157
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7596548
LogD (pH = 7.4)
0.017876133
Log P
2.3381119
Molar Refractivity
41.3922
Polarizability
15.733859
Polar Surface Area
37.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
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
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Molecule Details
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References
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Bioactivity
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