Molecule

ID:128253

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₂
Molecular Mass
174.1959
Exact Mass
174.06807956
Charge
0
InChI
InChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3
InChIKey
ZJTLZYDQJHKRMQ-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(C)c(c2c1cccc2)O
Isomeric Smiles
Oc1c2ccccc2c(O)c(c1)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.87
LogD (pH = 5.5)
2.87
Log P
2.87
Rotatable Bonds
0
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.53
Polar Surface Area
40.46
Polarizability
18.51
Molar Refractivity
51.51
LOG S
-2.77
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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