Molecule

ID:22537

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₄O
Molecular Mass
208.26024
Exact Mass
208.13241115
Charge
0
InChI
InChI=1S/C10H16N4O/c1-7-5-14(6-8(2)15-7)10-4-3-9(11)12-13-10/h3-4,7-8H,5-6H2,1-2H3,(H2,11,12)
InChIKey
BFTNCHQTLUQFEX-UHFFFAOYSA-N
Canonic Smiles
CC1OC(C)CN(C1)c1ccc(nn1)N
Isomeric Smiles
c1(ccc(nn1)N1CC(OC(C1)C)C)N
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.72130954
LogD (pH = 7.4)
0.8564593
Log P
0.858486
Molar Refractivity
61.4325
Polarizability
21.851135
Polar Surface Area
64.27
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