Molecule

ID:84676

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O₃
Molecular Mass
158.19496
Exact Mass
158.09429431
Charge
0
InChI
InChI=1S/C8H14O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6-7,9H,2-5H2,1H3
InChIKey
HYDYVXROZHFTGB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCC(CC1)O
Isomeric Smiles
O=C(C1CCC(CC1)O)OC
Calculated Properties
JChem
Acid pKa
18.156404
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.649332
LogD (pH = 7.4)
0.64933205
Log P
0.64933205
Molar Refractivity
40.2845
Polarizability
16.156979
Polar Surface Area
46.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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