Molecule
ID:69689
General Information
Molecular Formula
C₈H₁₄O₃
Molecular Mass
158.19496
Exact Mass
158.09429431
Charge
0
InChI
InChI=1S/C8H14O3/c1-3-5-6-7(9)8(10)11-4-2/h3-6H2,1-2H3
InChIKey
WRQGPGZATPOHHX-UHFFFAOYSA-N
Canonic Smiles
CCCCC(=O)C(=O)OCC
Isomeric Smiles
C(=O)(C(=O)CCCC)OCC
Calculated Properties
JChem
Acid pKa
17.984
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3915825
LogD (pH = 7.4)
2.3915825
Log P
2.3915825
Molar Refractivity
41.3363
Polarizability
16.33082
Polar Surface Area
43.37
Rotatable Bonds
6
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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