Molecule

ID:59172

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂
Molecular Mass
160.21568
Exact Mass
160.10004839
Charge
0
InChI
InChI=1S/C10H12N2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3,(H,11,12)
InChIKey
RITUGMAIQCZEOG-UHFFFAOYSA-N
Canonic Smiles
CC(c1nc2c([nH]1)cccc2)C
Isomeric Smiles
n1c([nH]c2c1cccc2)C(C)C
Calculated Properties
JChem
Acid pKa
12.455356
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0006268
LogD (pH = 7.4)
2.6064641
Log P
2.6260908
Molar Refractivity
48.6106
Polarizability
20.159105
Polar Surface Area
28.68
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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