Molecule

ID:15859

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂
Molecular Mass
160.21568
Exact Mass
160.10004839
Charge
0
InChI
InChI=1S/C10H12N2/c11-6-8-12-7-5-9-3-1-2-4-10(9)12/h1-5,7H,6,8,11H2
InChIKey
BXEFQUSYBZYTAE-UHFFFAOYSA-N
Canonic Smiles
NCCn1ccc2c1cccc2
Isomeric Smiles
c1cn(c2c1cccc2)CCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.5049324
LogD (pH = 7.4)
-0.7180647
Log P
1.4987
Molar Refractivity
49.991
Polarizability
20.770752
Polar Surface Area
30.95
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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