Molecule
ID:122348
General Information
Molecular Formula
C₁₂H₁₄N₂O
Molecular Mass
202.25236
Exact Mass
202.11061308
Charge
0
InChI
InChI=1S/C12H14N2O/c1-9-11(7-8-15)12(14-13-9)10-5-3-2-4-6-10/h2-6,15H,7-8H2,1H3,(H,13,14)
InChIKey
KNNLQQNZZQULHY-UHFFFAOYSA-N
Canonic Smiles
OCCc1c(C)n[nH]c1c1ccccc1
Isomeric Smiles
c1([nH]nc(c1CCO)C)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.004228
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4962608
LogD (pH = 7.4)
1.4973243
Log P
1.4973379
Molar Refractivity
60.9215
Polarizability
24.088402
Polar Surface Area
48.91
Rotatable Bonds
3
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
No Data Available
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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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