Molecule

ID:73422

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂
Molecular Mass
224.30094
Exact Mass
224.13134852
Charge
0
InChI
InChI=1S/C15H16N2/c1-2-6-12(7-3-1)13-10-11-16-14-8-4-5-9-15(14)17-13/h1-9,13,16-17H,10-11H2
InChIKey
HGJZFDLYTIVNHC-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C1CCNc2c(N1)cccc2
Isomeric Smiles
N1c2ccccc2NCCC1c1ccccc1
Calculated Properties
JChem
Acid pKa
19.712677
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.445928
LogD (pH = 7.4)
2.5893037
Log P
2.5914772
Molar Refractivity
73.6248
Polarizability
27.042406
Polar Surface Area
24.06
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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