Molecule

ID:16809

General Information
Structure
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c15-14-7-5-13(6-8-14)9-12-16-10-3-1-2-4-11-16/h5-8H,1-4,9-12,15H2
InChIKey
OARSMQUCRTVKGP-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)CCN1CCCCCC1
Isomeric Smiles
c1(CCN2CCCCCC2)ccc(cc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8249555
LogD (pH = 7.4)
-0.015878707
Log P
2.6693127
Molar Refractivity
70.7991
Polarizability
26.963758
Polar Surface Area
29.26
Rotatable Bonds
3
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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