Molecule

ID:42264

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁NO₃
Molecular Mass
229.23134
Exact Mass
229.07389322
Charge
0
InChI
InChI=1S/C13H11NO3/c14-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)13(15)16/h1-8H,14H2,(H,15,16)
InChIKey
QHUNNXCUJKOGMN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1ccccc1C(=O)O
Isomeric Smiles
c1(C(=O)O)c(Oc2ccc(N)cc2)cccc1
Calculated Properties
JChem
Acid pKa
3.3810577
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.4445499
LogD (pH = 7.4)
-1.0175151
Log P
1.38067
Molar Refractivity
64.2554
Polarizability
24.122295
Polar Surface Area
72.55
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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