Molecule

ID:40884

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₂
Molecular Mass
166.1772
Exact Mass
166.07422757
Charge
0
InChI
InChI=1S/C8H10N2O2/c1-12-7-4-2-3-6(5-7)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKey
WDHPVLQWHRHMEY-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)NC(=O)N
Isomeric Smiles
C(=O)(Nc1cc(OC)ccc1)N
Calculated Properties
JChem
Acid pKa
13.326361
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.7197394
LogD (pH = 7.4)
0.7197389
Log P
0.7197394
Molar Refractivity
46.0609
Polarizability
17.034786
Polar Surface Area
64.35
Rotatable Bonds
2
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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