Molecule

ID:15631

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂
Molecular Mass
160.21568
Exact Mass
160.10004839
Charge
0
InChI
InChI=1S/C10H12N2/c1-12-9(7-11)6-8-4-2-3-5-10(8)12/h2-6H,7,11H2,1H3
InChIKey
BJLPAXGOFMVSJE-UHFFFAOYSA-N
Canonic Smiles
NCc1cc2c(n1C)cccc2
Isomeric Smiles
c1ccc2c(c1)n(c(c2)CN)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.556687
LogD (pH = 7.4)
-0.22618885
Log P
1.3414534
Molar Refractivity
50.3921
Polarizability
20.767557
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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