Molecule

ID:114594

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₄O₂
Molecular Mass
278.35008
Exact Mass
278.17427596
Charge
0
InChI
InChI=1S/C14H22N4O2/c1-4-20-13(19)11-5-7-18(8-6-11)14-16-10(2)9-12(15-3)17-14/h9,11H,4-8H2,1-3H3,(H,15,16,17)
InChIKey
CHPPPPCFLLXFPC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)c1nc(C)cc(n1)NC
Isomeric Smiles
c1(nc(cc(n1)C)NC)N1CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.17150229
LogD (pH = 7.4)
1.080882
Log P
1.6109838
Molar Refractivity
80.0953
Polarizability
29.211943
Polar Surface Area
67.35
Rotatable Bonds
5
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