Molecule

ID:89922

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₂
Molecular Mass
166.1772
Exact Mass
166.07422757
Charge
0
InChI
InChI=1S/C8H10N2O2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3,(H2,9,10)
InChIKey
FIKVWPJKNMTBBD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(nc1)N
Isomeric Smiles
n1cc(ccc1N)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7870773
LogD (pH = 7.4)
0.8800551
Log P
0.88138986
Molar Refractivity
45.6889
Polarizability
16.854973
Polar Surface Area
65.21
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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