Molecule

ID:34672

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂
Molecular Mass
184.23708
Exact Mass
184.10004839
Charge
0
InChI
InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2
InChIKey
HFACYLZERDEVSX-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1ccc(cc1)N
Isomeric Smiles
c1(c2ccc(N)cc2)ccc(N)cc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.96
LogD (pH = 5.5)
1.89
Log P
1.96
Rotatable Bonds
1
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.73
Polar Surface Area
52.04
Polarizability
21.05
Molar Refractivity
60.60
LOG S
-3.48
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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