Molecule

ID:73638

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O₂
Molecular Mass
168.23284
Exact Mass
168.11502975
Charge
0
InChI
InChI=1S/C10H16O2/c1-2-3-7-12-10-6-4-5-9(11)8-10/h8H,2-7H2,1H3
InChIKey
HQFGJBVERCJECK-UHFFFAOYSA-N
Canonic Smiles
CCCCOC1=CC(=O)CCC1
Isomeric Smiles
O=C1C=C(OCCCC)CCC1
Calculated Properties
JChem
Acid pKa
17.902714
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0959897
LogD (pH = 7.4)
2.0959897
Log P
2.0959897
Molar Refractivity
50.0118
Polarizability
18.940886
Polar Surface Area
26.3
Rotatable Bonds
4
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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