Molecule

ID:92209

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂
Molecular Mass
160.21568
Exact Mass
160.10004839
Charge
0
InChI
InChI=1S/C10H12N2/c1-12-5-4-9-3-2-8(7-11)6-10(9)12/h2-6H,7,11H2,1H3
InChIKey
MVVXKNQNGUHIDO-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc2c(c1)n(C)cc2
Isomeric Smiles
n1(ccc2c1cc(cc2)CN)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.5568674
LogD (pH = 7.4)
-0.5480023
Log P
1.4214523
Molar Refractivity
50.5146
Polarizability
20.76622
Polar Surface Area
30.95
Rotatable Bonds
1
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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