Molecule

ID:34841

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂
Molecular Mass
172.22638
Exact Mass
172.10004839
Charge
0
InChI
InChI=1S/C11H12N2/c1-12-7-9-3-2-4-10-8-13-6-5-11(9)10/h2-6,8,12H,7H2,1H3
InChIKey
QMEHQGMKUUTMCP-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccc2c1ccnc2
Isomeric Smiles
c12c(CNC)cccc1cncc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9963669
LogD (pH = 7.4)
-1.1274842
Log P
1.303399
Molar Refractivity
53.5993
Polarizability
22.266415
Polar Surface Area
24.92
Rotatable Bonds
2
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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