Molecule

ID:22214

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₂
Molecular Mass
160.16932
Exact Mass
160.0524295
Charge
0
InChI
InChI=1S/C10H8O2/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-6H,1H3
InChIKey
CHGABJRZTFUHDT-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1coc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)c(co2)C(=O)C
Calculated Properties
JChem
Acid pKa
15.006432
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6900167
LogD (pH = 7.4)
1.6900167
Log P
1.6900167
Molar Refractivity
45.3019
Polarizability
18.460554
Polar Surface Area
30.21
Rotatable Bonds
1
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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