Molecule

ID:38181

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₂
Molecular Mass
196.24624
Exact Mass
196.12117776
Charge
0
InChI
InChI=1S/C10H16N2O2/c1-5-14-9(13)7-6-8(12-11-7)10(2,3)4/h6H,5H2,1-4H3,(H,11,12)
InChIKey
RCXMILPYEKVQLB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]nc(c1)C(C)(C)C
Isomeric Smiles
c1(n[nH]c(c1)C(=O)OCC)C(C)(C)C
Calculated Properties
JChem
Acid pKa
10.122704
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2886114
LogD (pH = 7.4)
2.2878208
Log P
2.2886224
Molar Refractivity
54.6907
Polarizability
20.712608
Polar Surface Area
54.98
Rotatable Bonds
4
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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