Molecule

ID:48571

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂N₄
Molecular Mass
282.38338
Exact Mass
282.18444672
Charge
0
InChI
InChI=1S/C17H22N4/c18-12-16-6-7-17(19-13-16)21-10-8-20(9-11-21)14-15-4-2-1-3-5-15/h1-7,13H,8-12,14,18H2
InChIKey
FGORNCQKGZUGRJ-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(nc1)N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(c2ncc(cc2)CN)CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.0954852
LogD (pH = 7.4)
-0.2609247
Log P
2.1554358
Molar Refractivity
87.7793
Polarizability
33.56482
Polar Surface Area
45.39
Rotatable Bonds
4
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