Molecule

ID:40096

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₄
Molecular Mass
192.26084
Exact Mass
192.13749653
Charge
0
InChI
InChI=1S/C10H16N4/c1-13-4-6-14(7-5-13)10-3-2-9(11)8-12-10/h2-3,8H,4-7,11H2,1H3
InChIKey
NZTCEWZBMOTKCJ-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1ccc(cn1)N
Isomeric Smiles
N1(c2ncc(N)cc2)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.9549503
LogD (pH = 7.4)
0.024006637
Log P
0.4762684
Molar Refractivity
59.3937
Polarizability
21.712683
Polar Surface Area
45.39
Rotatable Bonds
1
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