Molecule

ID:61394

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₆N₂
Molecular Mass
284.35444
Exact Mass
284.13134852
Charge
0
InChI
InChI=1S/C20H16N2/c1-2-6-16(7-3-1)17-12-10-15(11-13-17)14-20-21-18-8-4-5-9-19(18)22-20/h1-13H,14H2,(H,21,22)
InChIKey
MZOYCNRIPAARRB-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ccc(cc1)Cc1nc2c([nH]1)cccc2
Isomeric Smiles
n1c([nH]c2c1cccc2)Cc1ccc(c2ccccc2)cc1
Calculated Properties
JChem
Acid pKa
12.249836
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.3701677
LogD (pH = 7.4)
4.851709
Log P
4.864134
Molar Refractivity
89.2673
Polarizability
37.218502
Polar Surface Area
28.68
Rotatable Bonds
3
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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