Molecule

ID:60290

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O₂
Molecular Mass
126.1531
Exact Mass
126.06807956
Charge
0
InChI
InChI=1S/C7H10O2/c1-5-3-7(4-8)6(2)9-5/h3,8H,4H2,1-2H3
InChIKey
YZKVNZQOYBRCPL-UHFFFAOYSA-N
Canonic Smiles
OCc1cc(oc1C)C
Isomeric Smiles
o1c(c(cc1C)CO)C
Calculated Properties
JChem
Acid pKa
14.525938
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.74526423
LogD (pH = 7.4)
0.7452642
Log P
0.74526423
Molar Refractivity
35.6867
Polarizability
13.188578
Polar Surface Area
33.37
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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