Molecule
ID:30941
General Information
Molecular Formula
C₁₀H₁₂N₂
Molecular Mass
160.21568
Exact Mass
160.10004839
Charge
0
InChI
InChI=1S/C10H12N2/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5,12H,11H2,1-2H3
InChIKey
NEFAZJJIHDDXKM-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)c(C)c([nH]2)C
Isomeric Smiles
[nH]1c(c(c2c1ccc(c2)N)C)C
Calculated Properties
JChem
Acid pKa
17.979572
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.9476228
LogD (pH = 7.4)
1.9559573
Log P
1.9560646
Molar Refractivity
52.0358
Polarizability
20.268965
Polar Surface Area
41.81
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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