Molecule

ID:80725

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂
Molecular Mass
172.22638
Exact Mass
172.10004839
Charge
0
InChI
InChI=1S/C11H12N2/c12-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h1-8H,9,12H2
InChIKey
XLBYUDUEHVKUKQ-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)n1cccc1
Isomeric Smiles
NCc1cc(ccc1)n1cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.6733217
LogD (pH = 7.4)
-0.46892896
Log P
1.679
Molar Refractivity
64.2838
Polarizability
21.761951
Polar Surface Area
30.95
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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