Molecule

ID:44137

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O₂
Molecular Mass
230.26246
Exact Mass
230.1055277
Charge
0
InChI
InChI=1S/C13H14N2O2/c1-2-17-13(16)12-10(14)8-11(15-12)9-6-4-3-5-7-9/h3-8,15H,2,14H2,1H3
InChIKey
DJUKQRWPMVBJPJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]c(cc1N)c1ccccc1
Isomeric Smiles
c1([nH]c(cc1N)c1ccccc1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
14.255993
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.7217164
LogD (pH = 7.4)
2.7217164
Log P
2.7217164
Molar Refractivity
67.1823
Polarizability
26.390274
Polar Surface Area
68.11
Rotatable Bonds
4
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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