Molecule

ID:80765

General Information
Structure
Molecular Formula
C₁₁H₁₂N₂
Molecular Mass
172.22638
Exact Mass
172.10004839
Charge
0
InChI
InChI=1S/C11H12N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h1-8H,9,12H2
InChIKey
FGXCYGHFHAVYTE-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)n1cccc1
Isomeric Smiles
n1(c2ccc(cc2)CN)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.6797879
LogD (pH = 7.4)
-0.5015606
Log P
1.679
Molar Refractivity
64.2838
Polarizability
21.761675
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
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Molecule Details
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References
Bioactivity
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