Molecule

ID:31340

General Information
Structure
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-11-4-3-9-16(10-11)14-7-5-13(6-8-14)12(2)15/h5-8,11-12H,3-4,9-10,15H2,1-2H3
InChIKey
SFAHERZIKBIHIW-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)c1ccc(cc1)C(N)C
Isomeric Smiles
N1(c2ccc(cc2)C(N)C)CC(CCC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.3785064
LogD (pH = 7.4)
0.48648426
Log P
2.838972
Molar Refractivity
69.9924
Polarizability
27.039886
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
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