Molecule

ID:101668

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀O₃
Molecular Mass
214.2167
Exact Mass
214.06299418
Charge
0
InChI
InChI=1S/C13H10O3/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12/h2-8H,1H3
InChIKey
BAVQWNGBJSPFBJ-UHFFFAOYSA-N
Canonic Smiles
O=CC(=O)c1ccc2c(c1)ccc(c2)OC
Isomeric Smiles
c1c(cc2c(c1)cc(cc2)C(=O)C=O)OC
Calculated Properties
JChem
Acid pKa
14.24704
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4523695
LogD (pH = 7.4)
2.4523695
Log P
2.4523695
Molar Refractivity
60.2305
Polarizability
24.159122
Polar Surface Area
43.37
Rotatable Bonds
3
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
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References
Bioactivity
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