Molecule

ID:35494

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-12-4-3-9-16(11-12)14-7-5-13(6-8-14)10-15-2/h5-8,12,15H,3-4,9-11H2,1-2H3
InChIKey
AMCUQAINHUGSDB-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc(cc1)N1CCCC(C1)C
Isomeric Smiles
N1(c2ccc(cc2)CNC)CC(CCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.51387835
LogD (pH = 7.4)
0.5017428
Log P
2.8549774
Molar Refractivity
70.3482
Polarizability
27.040316
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