Molecule

ID:47826

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-11-10-12(15)8-9-14(11)16(2)13-6-4-3-5-7-13/h8-10,13H,3-7,15H2,1-2H3
InChIKey
GJSWXGNAAQRIAO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)N(C1CCCCC1)C
Isomeric Smiles
c1(N(C2CCCCC2)C)c(cc(cc1)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5719414
LogD (pH = 7.4)
3.1925716
Log P
3.5650556
Molar Refractivity
71.2424
Polarizability
26.56194
Polar Surface Area
29.26
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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