Molecule

ID:117829

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)11-6-8-16(9-7-11)12-5-4-10(2)14-15-12/h4-5,11H,3,6-9H2,1-2H3
InChIKey
UHDYZSHJLXXWOH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)c1ccc(nn1)C
Isomeric Smiles
N1(c2nnc(cc2)C)CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.1516812
LogD (pH = 7.4)
1.1850452
Log P
1.1854876
Molar Refractivity
70.9976
Polarizability
26.233702
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