Molecule

ID:45359

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-3-15-7-11(14)13-10-6-4-5-9(12)8(10)2/h4-6H,3,7,12H2,1-2H3,(H,13,14)
InChIKey
ZUFDBPKMZPIOBT-UHFFFAOYSA-N
Canonic Smiles
Cc1c(NC(=O)COCC)cccc1N
Isomeric Smiles
c1(c(NC(=O)COCC)cccc1N)C
Calculated Properties
JChem
Acid pKa
13.068766
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.0677247
LogD (pH = 7.4)
1.0780045
Log P
1.078138
Molar Refractivity
61.8646
Polarizability
22.490808
Polar Surface Area
64.35
Rotatable Bonds
4
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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