Molecule

ID:101406

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)11-4-6-16(7-5-11)12-9-14-8-10(2)15-12/h8-9,11H,3-7H2,1-2H3
InChIKey
OSGKXJODRWCFQF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)c1cncc(n1)C
Isomeric Smiles
N1(c2nc(cnc2)C)CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.94692844
LogD (pH = 7.4)
0.9475769
Log P
0.94758517
Molar Refractivity
68.9774
Polarizability
26.226782
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