Molecule

ID:45398

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-7-3-4-8(5-9(7)11)12-10(13)6-14-2/h3-5H,6,11H2,1-2H3,(H,12,13)
InChIKey
ORUJAIRJOZFFIK-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)Nc1ccc(c(c1)N)C
Isomeric Smiles
c1(cc(NC(=O)COC)ccc1C)N
Calculated Properties
JChem
Acid pKa
13.215761
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.71344095
LogD (pH = 7.4)
0.7212292
Log P
0.72133005
Molar Refractivity
57.116
Polarizability
20.651913
Polar Surface Area
64.35
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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