Molecule

ID:56005

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆N₂
Molecular Mass
248.32234
Exact Mass
248.13134852
Charge
0
InChI
InChI=1S/C17H16N2/c18-16-7-3-1-5-13(16)9-11-15-12-10-14-6-2-4-8-17(14)19-15/h1-8,10,12H,9,11,18H2
InChIKey
FZBCGHASKLJZGH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1CCc1ccc2c(n1)cccc2
Isomeric Smiles
n1c2c(ccc1CCc1c(N)cccc1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5955684
LogD (pH = 7.4)
3.7106187
Log P
3.712253
Molar Refractivity
78.5941
Polarizability
31.341202
Polar Surface Area
38.91
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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