Molecule

ID:11377

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂
Molecular Mass
160.21568
Exact Mass
160.10004839
Charge
0
InChI
InChI=1S/C10H12N2/c1-10(2,8-11)12-9-6-4-3-5-7-9/h3-7,12H,1-2H3
InChIKey
NCTOGJVAFQWQOR-UHFFFAOYSA-N
Canonic Smiles
N#CC(Nc1ccccc1)(C)C
Isomeric Smiles
N#CC(Nc1ccccc1)(C)C
Calculated Properties
JChem
Acid pKa
14.872815
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9834291
LogD (pH = 7.4)
1.9834856
Log P
1.9834863
Molar Refractivity
50.5229
Polarizability
18.685568
Polar Surface Area
35.82
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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