Molecule

ID:15825

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈N₂
Molecular Mass
260.41762
Exact Mass
260.22524891
Charge
0
InChI
InChI=1S/C17H28N2/c1-3-10-18-13-16-8-11-19(12-9-16)14-17-7-5-4-6-15(17)2/h4-7,16,18H,3,8-14H2,1-2H3
InChIKey
JMGMVVUKGZQGNF-UHFFFAOYSA-N
Canonic Smiles
CCCNCC1CCN(CC1)Cc1ccccc1C
Isomeric Smiles
C(CC)NCC1CCN(CC1)Cc1ccccc1C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.223215
LogD (pH = 7.4)
-1.7835819
Log P
3.4117532
Molar Refractivity
83.8889
Polarizability
32.907146
Polar Surface Area
15.27
Rotatable Bonds
6
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