Molecule

ID:60976

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-11(2,8-14)13-10(15)12-9-6-4-3-5-7-9/h3-7,14H,8H2,1-2H3,(H2,12,13,15)
InChIKey
OMOVNZOSGRVZPV-UHFFFAOYSA-N
Canonic Smiles
OCC(NC(=O)Nc1ccccc1)(C)C
Isomeric Smiles
C(=O)(NC(CO)(C)C)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
13.506718
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
1.1081364
LogD (pH = 7.4)
1.108136
Log P
1.1081364
Molar Refractivity
59.8437
Polarizability
22.489546
Polar Surface Area
61.36
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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