Molecule

ID:71665

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂
Molecular Mass
158.1998
Exact Mass
158.08439833
Charge
0
InChI
InChI=1S/C10H10N2/c1-2-4-9-8(3-1)11-10(12-9)7-5-6-7/h1-4,7H,5-6H2,(H,11,12)
InChIKey
ACQZKAMBZDAMRZ-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)[nH]c(n2)C1CC1
Isomeric Smiles
c1(nc2c([nH]1)cccc2)C1CC1
Calculated Properties
JChem
Acid pKa
12.403931
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5722898
LogD (pH = 7.4)
2.1449542
Log P
2.162365
Molar Refractivity
46.8084
Polarizability
19.41262
Polar Surface Area
28.68
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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