Molecule

ID:59475

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-15-11-13-7-3-4-8-14(13)12-16-9-5-2-6-10-16/h3-4,7-8,15H,2,5-6,9-12H2,1H3
InChIKey
RLFLKNXWHSUKCT-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccccc1CN1CCCCC1
Isomeric Smiles
N1(Cc2c(CNC)cccc2)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.142075
LogD (pH = 7.4)
-1.653503
Log P
2.3233576
Molar Refractivity
69.9907
Polarizability
27.442165
Polar Surface Area
15.27
Rotatable Bonds
4
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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