Molecule

ID:47779

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂
Molecular Mass
224.30094
Exact Mass
224.13134852
Charge
0
InChI
InChI=1S/C15H16N2/c16-13-7-9-14(10-8-13)17-11-3-5-12-4-1-2-6-15(12)17/h1-2,4,6-10H,3,5,11,16H2
InChIKey
IMYBMPFGRJVRBT-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCCc2c1cccc2
Isomeric Smiles
N1(c2c(CCC1)cccc2)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.043834
LogD (pH = 7.4)
3.2881653
Log P
3.292379
Molar Refractivity
72.0519
Polarizability
26.959215
Polar Surface Area
29.26
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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