Molecule

ID:48516

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₄
Molecular Mass
268.3568
Exact Mass
268.16879666
Charge
0
InChI
InChI=1S/C16H20N4/c17-15-7-4-8-18-16(15)20-11-9-19(10-12-20)13-14-5-2-1-3-6-14/h1-8H,9-13,17H2
InChIKey
KOQUBJBSRNMBSY-UHFFFAOYSA-N
Canonic Smiles
Nc1cccnc1N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(c2ncccc2N)CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.4328494
LogD (pH = 7.4)
1.6638095
Log P
2.2007415
Molar Refractivity
84.0063
Polarizability
31.326174
Polar Surface Area
45.39
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