Molecule

ID:53250

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-3-14-10(13)9-6-8(7-4-5-7)11-12(9)2/h6-7H,3-5H2,1-2H3
InChIKey
ZXQYGJAMALKFFF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(nn1C)C1CC1
Isomeric Smiles
c1c(nn(c1C(=O)OCC)C)C1CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5925317
LogD (pH = 7.4)
1.592558
Log P
1.5925583
Molar Refractivity
63.6035
Polarizability
19.912403
Polar Surface Area
44.12
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
No Data Available
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Molecule Details
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References
Bioactivity
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