Molecule

ID:23557

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁NO₂
Molecular Mass
213.23194
Exact Mass
213.0789786
Charge
0
InChI
InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
InChIKey
ZWJINEZUASEZBH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1Nc1ccccc1
Isomeric Smiles
c1(c(Nc2ccccc2)cccc1)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
1.26
LogD (pH = 5.5)
2.93
Log P
4.37
Rotatable Bonds
3
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.31
Polar Surface Area
49.33
Polarizability
22.23
Molar Refractivity
61.80
LOG S
-3.26
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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