Molecule
ID:57476
General Information
Molecular Formula
C₈H₁₀N₂O₂
Molecular Mass
166.1772
Exact Mass
166.07422757
Charge
0
InChI
InChI=1S/C8H10N2O2/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,9H2,1H3,(H2,10,11)
InChIKey
JMOGARYRWMUPAE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C(=O)N)N
Isomeric Smiles
c1(c(ccc(c1)N)OC)C(=O)N
Calculated Properties
JChem
Acid pKa
13.79291
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.1764451
LogD (pH = 7.4)
-0.1628866
Log P
-0.16271111
Molar Refractivity
46.3
Polarizability
16.841955
Polar Surface Area
78.34
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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