Molecule

ID:118824

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₃
Molecular Mass
243.25792
Exact Mass
243.08954328
Charge
0
InChI
InChI=1S/C14H13NO3/c1-18-11-5-2-9(3-6-11)10-4-7-12(14(16)17)13(15)8-10/h2-8H,15H2,1H3,(H,16,17)
InChIKey
ZSXWYUBHMYUJRM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccc(c(c1)N)C(=O)O
Isomeric Smiles
c1(c(cc(c2ccc(cc2)OC)cc1)N)C(=O)O
Calculated Properties
JChem
Acid pKa
4.8478413
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.099888
LogD (pH = 7.4)
0.33972156
Log P
2.9414568
Molar Refractivity
69.614
Polarizability
27.254932
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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