Molecule

ID:62352

General Information
Structure
Molecular Formula
C₁₆H₂₀N₄
Molecular Mass
268.3568
Exact Mass
268.16879666
Charge
0
InChI
InChI=1S/C16H20N4/c1-12-9-14(20-16-6-2-3-8-18-16)10-15(19-12)13-5-4-7-17-11-13/h2-3,6,8-10,13,17H,4-5,7,11H2,1H3,(H,18,19,20)
InChIKey
NYQKTIRVZVATCU-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(cc(n1)C1CCCNC1)Nc1ccccn1
Isomeric Smiles
n1c(cc(Nc2ncccc2)cc1C)C1CNCCC1
Calculated Properties
JChem
Acid pKa
16.329662
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.582866
LogD (pH = 7.4)
-0.34088317
Log P
2.0945098
Molar Refractivity
80.0045
Polarizability
30.9613
Polar Surface Area
49.84
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