Molecule

ID:22817

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-3-10(13)12-8-6-7(11)4-5-9(8)14-2/h4-6H,3,11H2,1-2H3,(H,12,13)
InChIKey
VIADYJCEFAGKCG-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
c1(NC(=O)CC)cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
12.425842
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.8591889
LogD (pH = 7.4)
0.923998
Log P
0.9248948
Molar Refractivity
56.7115
Polarizability
20.712328
Polar Surface Area
64.35
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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