Molecule

ID:16524

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₄O₂
Molecular Mass
290.36078
Exact Mass
290.17427596
Charge
0
InChI
InChI=1S/C15H22N4O2/c20-19(21)14-5-4-13(17-10-6-16-7-11-17)12-15(14)18-8-2-1-3-9-18/h4-5,12,16H,1-3,6-11H2
InChIKey
IEZDTNCUMWPRTD-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1N1CCCCC1)N1CCNCC1
Isomeric Smiles
c1(N2CCCCC2)c(ccc(c1)N1CCNCC1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.5384828
LogD (pH = 7.4)
1.0062419
Log P
2.4437554
Molar Refractivity
84.1331
Polarizability
31.115086
Polar Surface Area
61.65
Rotatable Bonds
3
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