Molecule
ID:42639
General Information
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h1,3-6,11H,7-8H2
InChIKey
RVSYWNCLODDMRH-UHFFFAOYSA-N
Canonic Smiles
C#CCOc1ccccc1CO
Isomeric Smiles
C(#C)COc1c(CO)cccc1
Calculated Properties
JChem
Acid pKa
14.698654
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2763078
LogD (pH = 7.4)
1.2763078
Log P
1.2763078
Molar Refractivity
46.9173
Polarizability
17.883734
Polar Surface Area
29.46
Rotatable Bonds
3
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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