Molecule

ID:70160

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₂
Molecular Mass
174.1959
Exact Mass
174.06807956
Charge
0
InChI
InChI=1S/C11H10O2/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h2-7,12H,1H3
InChIKey
KUKJAAZDXZNNPD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(O)ccc2
Isomeric Smiles
c1(cccc2ccc(cc12)OC)O
Calculated Properties
JChem
Acid pKa
9.50527
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5014434
LogD (pH = 7.4)
2.4981124
Log P
2.501486
Molar Refractivity
50.9523
Polarizability
20.997383
Polar Surface Area
29.46
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
References
Bioactivity
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