Molecule

ID:16800

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-12(13-6-4-3-5-7-13)15-14-8-10-16(2)11-9-14/h3-7,12,14-15H,8-11H2,1-2H3
InChIKey
FZLJYZIIGQDRRX-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)NC1CCN(CC1)C
Isomeric Smiles
c1(C(NC2CCN(CC2)C)C)ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0487773
LogD (pH = 7.4)
-0.89180857
Log P
1.9749758
Molar Refractivity
69.1759
Polarizability
27.44689
Polar Surface Area
15.27
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation