Molecule

ID:52952

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)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,12H2,1-3H3,(H,13,14)
InChIKey
WIVYTYZCVWHWSH-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)N)OC(C)(C)C
Isomeric Smiles
c1cc(ccc1NC(=O)OC(C)(C)C)N
Calculated Properties
JChem
Acid pKa
13.646537
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.0473647
LogD (pH = 7.4)
2.0551803
Log P
2.055281
Molar Refractivity
61.0506
Polarizability
22.563513
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
References
Bioactivity
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