Molecule

ID:16877

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂
Molecular Mass
158.1998
Exact Mass
158.08439833
Charge
0
InChI
InChI=1S/C10H10N2/c1-7-4-5-8-3-2-6-12-10(8)9(7)11/h2-6H,11H2,1H3
InChIKey
LOVKAXWPSDVFJO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1N)nccc2
Isomeric Smiles
c1(c2ncccc2ccc1C)N
Calculated Properties
JChem
Acid pKa
19.651054
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7674006
LogD (pH = 7.4)
1.814754
Log P
1.815396
Molar Refractivity
49.7209
Polarizability
19.92919
Polar Surface Area
38.91
Rotatable Bonds
0
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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