Molecule
ID:22374
General Information
Molecular Formula
C₅H₁₂O₂
Molecular Mass
104.14758
Exact Mass
104.08372962
Charge
0
InChI
InChI=1S/C5H12O2/c1-7-5-3-2-4-6/h6H,2-5H2,1H3
InChIKey
KOVAQMSVARJMPH-UHFFFAOYSA-N
Canonic Smiles
COCCCCO
Isomeric Smiles
C(CCOC)CO
Calculated Properties
JChem
Acid pKa
15.970746
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.011769833
LogD (pH = 7.4)
0.011769832
Log P
0.011769833
Molar Refractivity
28.8148
Polarizability
11.260503
Polar Surface Area
29.46
Rotatable Bonds
4
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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