Molecule

ID:87528

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂
Molecular Mass
160.21568
Exact Mass
160.10004839
Charge
0
InChI
InChI=1S/C10H12N2/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3,(H,11,12)
InChIKey
AFNRMRFWCAJQGP-UHFFFAOYSA-N
Canonic Smiles
Cc1[nH]c2c(n1)cc(c(c2)C)C
Isomeric Smiles
[nH]1c2cc(c(cc2nc1C)C)C
Calculated Properties
JChem
Acid pKa
13.17542
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2513721
LogD (pH = 7.4)
2.2811472
Log P
2.4094114
Molar Refractivity
49.4916
Polarizability
19.991238
Polar Surface Area
28.68
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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