Molecule

ID:62805

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂N₂O₃
Molecular Mass
244.24598
Exact Mass
244.08479225
Charge
0
InChI
InChI=1S/C13H12N2O3/c1-8-6-7-11(9(2)14-8)18-12-5-3-4-10(15-12)13(16)17/h3-7H,1-2H3,(H,16,17)
InChIKey
GXKAKVOTHVBHQE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(n1)C)Oc1cccc(n1)C(=O)O
Isomeric Smiles
n1c(Oc2c(nc(cc2)C)C)cccc1C(=O)O
Calculated Properties
JChem
Acid pKa
3.573852
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.1443693
LogD (pH = 7.4)
-1.2185458
Log P
-0.06805715
Molar Refractivity
64.3657
Polarizability
24.75142
Polar Surface Area
72.31
Rotatable Bonds
3
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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