Molecule

ID:92621

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₂
Molecular Mass
174.1959
Exact Mass
174.06807956
Charge
0
InChI
InChI=1S/C11H10O2/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-7,12H,8H2
InChIKey
SBTRFADZILHXNG-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(c1)c1ccco1
Isomeric Smiles
o1cccc1c1cccc(c1)CO
Calculated Properties
JChem
Acid pKa
14.889737
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9133681
LogD (pH = 7.4)
1.913368
Log P
1.9133681
Molar Refractivity
50.401
Polarizability
20.62712
Polar Surface Area
33.37
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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