Molecule

ID:47602

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂
Molecular Mass
224.30094
Exact Mass
224.13134852
Charge
0
InChI
InChI=1S/C15H16N2/c16-13-8-2-4-10-15(13)17-11-5-7-12-6-1-3-9-14(12)17/h1-4,6,8-10H,5,7,11,16H2
InChIKey
GDMUAUIGJQMZGC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1N1CCCc2c1cccc2
Isomeric Smiles
N1(c2c(CCC1)cccc2)c1c(N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2879934
LogD (pH = 7.4)
3.2923234
Log P
3.292379
Molar Refractivity
72.0519
Polarizability
26.960752
Polar Surface Area
29.26
Rotatable Bonds
1
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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