Molecule

ID:18292

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₄O
Molecular Mass
220.27094
Exact Mass
220.13241115
Charge
0
InChI
InChI=1S/C11H16N4O/c1-13(2)8-6-10-9(5-7(8)12)14(3)11(16)15(10)4/h5-6H,12H2,1-4H3
InChIKey
OUKLITHWMNPWMM-UHFFFAOYSA-N
Canonic Smiles
CN(c1cc2c(cc1N)n(c(=O)n2C)C)C
Isomeric Smiles
c1(=O)n(c2c(n1C)cc(c(c2)N)N(C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.51048034
LogD (pH = 7.4)
0.51447487
Log P
0.51452607
Molar Refractivity
65.3556
Polarizability
23.410212
Polar Surface Area
52.81
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