Molecule

ID:17643

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂
Molecular Mass
172.22638
Exact Mass
172.10004839
Charge
0
InChI
InChI=1S/C11H12N2/c1-9-10(12)5-4-6-11(9)13-7-2-3-8-13/h2-8H,12H2,1H3
InChIKey
OBJLTEKIKVHAMD-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1C)n1cccc1
Isomeric Smiles
n1(c2c(c(N)ccc2)C)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5469735
LogD (pH = 7.4)
2.61827
Log P
2.6192598
Molar Refractivity
65.552
Polarizability
21.272259
Polar Surface Area
30.95
Rotatable Bonds
1
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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