Molecule

ID:31143

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃O₂
Molecular Mass
261.31956
Exact Mass
261.14772686
Charge
0
InChI
InChI=1S/C14H19N3O2/c1-9-14(15)10(2)17(16-9)8-11-5-6-12(18-3)13(7-11)19-4/h5-7H,8,15H2,1-4H3
InChIKey
RSXYKXLQZDNCKB-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)Cn1nc(c(c1C)N)C
Isomeric Smiles
n1(nc(c(c1C)N)C)Cc1cc(c(cc1)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3113253
LogD (pH = 7.4)
1.3122305
Log P
1.312242
Molar Refractivity
86.942
Polarizability
28.189392
Polar Surface Area
62.3
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