Molecule

ID:76836

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂
Molecular Mass
186.25296
Exact Mass
186.11569846
Charge
0
InChI
InChI=1S/C12H14N2/c1-8-6-10-11(7-9(8)2)14-5-3-4-12(14)13-10/h6-7H,3-5H2,1-2H3
InChIKey
OEQHHLTWJGGPFT-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2nc3n(c2cc1C)CCC3
Isomeric Smiles
n1c2n(c3c1cc(c(c3)C)C)CCC2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8705668
LogD (pH = 7.4)
2.7935948
Log P
2.8600905
Molar Refractivity
57.2836
Polarizability
22.854706
Polar Surface Area
17.82
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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