Molecule

ID:31187

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂
Molecular Mass
160.21568
Exact Mass
160.10004839
Charge
0
InChI
InChI=1S/C10H12N2/c1-7-5-8-6-9(11)3-4-10(8)12(7)2/h3-6H,11H2,1-2H3
InChIKey
KCRFAMHLOPLVJF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)cc(n2C)C
Isomeric Smiles
n1(c(cc2c1ccc(c2)N)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6578395
LogD (pH = 7.4)
1.6662115
Log P
1.6663193
Molar Refractivity
51.8913
Polarizability
20.266108
Polar Surface Area
30.95
Rotatable Bonds
0
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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