Molecule

ID:60933

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)9-6-10(14)13-11(15)12-9/h2-6H,1H3,(H2,12,13,14,15)
InChIKey
XAIOLTHASPQESG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1cc(O)nc(n1)O
Isomeric Smiles
n1c(nc(cc1O)c1ccc(cc1)OC)O
Calculated Properties
JChem
Acid pKa
12.57337
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
2.5912528
LogD (pH = 7.4)
2.59125
Log P
2.5912528
Molar Refractivity
58.171
Polarizability
23.22087
Polar Surface Area
75.47
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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