Molecule

ID:75342

General Information
Structure
Molecular Formula
C₁₁H₁₂N₂
Molecular Mass
172.22638
Exact Mass
172.10004839
Charge
0
InChI
InChI=1S/C11H12N2/c1-7-4-5-10-11(6-7)13-9(3)8(2)12-10/h4-6H,1-3H3
InChIKey
GQRWKGBOBWHKHP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)nc(c(n2)C)C
Isomeric Smiles
n1c(c(nc2cc(ccc12)C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.074581
LogD (pH = 7.4)
2.0752318
Log P
2.0752401
Molar Refractivity
51.6746
Polarizability
21.410324
Polar Surface Area
25.78
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
References
Bioactivity
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