Molecule

ID:30060

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂
Molecular Mass
172.22638
Exact Mass
172.10004839
Charge
0
InChI
InChI=1S/C11H12N2/c1-7-3-6-10-9(11(7)12)5-4-8(2)13-10/h3-6H,12H2,1-2H3
InChIKey
SSJOWWYMHNQEMM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(n1)ccc(c2N)C
Isomeric Smiles
c12c(nc(cc2)C)ccc(c1N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.309808
LogD (pH = 7.4)
1.9279467
Log P
1.946766
Molar Refractivity
54.3124
Polarizability
21.688423
Polar Surface Area
38.91
Rotatable Bonds
0
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
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References
Bioactivity
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