Molecule

ID:16196

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-11(2,3)10(15)13-9-6-12-5-4-8(9)7-14/h4-6,14H,7H2,1-3H3,(H,13,15)
InChIKey
AQXVQTJWSOVCFB-UHFFFAOYSA-N
Canonic Smiles
OCc1ccncc1NC(=O)C(C)(C)C
Isomeric Smiles
C(=O)(C(C)(C)C)Nc1cnccc1CO
Calculated Properties
JChem
Acid pKa
12.158131
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.0030082
LogD (pH = 7.4)
1.0251713
Log P
1.0254704
Molar Refractivity
59.2824
Polarizability
22.294899
Polar Surface Area
62.22
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
References
Bioactivity
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