Molecule

ID:77494

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N₃O₂
Molecular Mass
249.30886
Exact Mass
249.14772686
Charge
0
InChI
InChI=1S/C13H19N3O2/c1-3-18-13(17)11-5-4-6-16(9-11)12-8-14-7-10(2)15-12/h7-8,11H,3-6,9H2,1-2H3
InChIKey
MTWGDARCNWTWJN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCCN(C1)c1cncc(n1)C
Isomeric Smiles
N1(c2cncc(n2)C)CCCC(C1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.1030165
LogD (pH = 7.4)
1.1034867
Log P
1.1034926
Molar Refractivity
68.8234
Polarizability
26.226242
Polar Surface Area
55.32
Rotatable Bonds
4
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