Molecule

ID:12197

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₂
Molecular Mass
174.1959
Exact Mass
174.06807956
Charge
0
InChI
InChI=1S/C11H10O2/c1-13-11(12)10-7-6-8-4-2-3-5-9(8)10/h2-5,7H,6H2,1H3
InChIKey
MLCZDADAEVAQBF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1=CCc2c1cccc2
Isomeric Smiles
C1C=C(c2ccccc12)C(=O)OC
Calculated Properties
JChem
Acid pKa
17.302404
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5720243
LogD (pH = 7.4)
2.5720243
Log P
2.5720243
Molar Refractivity
50.8241
Polarizability
19.391134
Polar Surface Area
26.3
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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