Molecule

ID:87977

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₂
Molecular Mass
174.1959
Exact Mass
174.06807956
Charge
0
InChI
InChI=1S/C11H10O2/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7,12H,8H2
InChIKey
IKZLKNNNCKXCKP-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1)c1ccco1
Isomeric Smiles
o1cccc1c1ccc(cc1)CO
Calculated Properties
JChem
Acid pKa
14.930774
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
20.62676
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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