Molecule

ID:57209

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂
Molecular Mass
172.22638
Exact Mass
172.10004839
Charge
0
InChI
InChI=1S/C11H12N2/c1-12-8-9-4-2-6-11-10(9)5-3-7-13-11/h2-7,12H,8H2,1H3
InChIKey
OQWMVUARPULOKS-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccc2c1cccn2
Isomeric Smiles
c1ccc2c(c1CNC)cccn2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5258422
LogD (pH = 7.4)
-0.7658917
Log P
1.6892493
Molar Refractivity
53.2273
Polarizability
22.272354
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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