Molecule

ID:75083

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O₂
Molecular Mass
168.23284
Exact Mass
168.11502975
Charge
0
InChI
InChI=1S/C10H16O2/c1-8(2)7-12-10-5-3-4-9(11)6-10/h6,8H,3-5,7H2,1-2H3
InChIKey
FKJAZODXPHIGOL-UHFFFAOYSA-N
Canonic Smiles
CC(COC1=CC(=O)CCC1)C
Isomeric Smiles
O=C1CCCC(=C1)OCC(C)C
Calculated Properties
JChem
Acid pKa
17.901697
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.016394
LogD (pH = 7.4)
2.016394
Log P
2.016394
Molar Refractivity
49.8824
Polarizability
18.940886
Polar Surface Area
26.3
Rotatable Bonds
3
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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