Molecule

ID:15968

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₄O₃
Molecular Mass
250.25386
Exact Mass
250.10659033
Charge
0
InChI
InChI=1S/C11H14N4O3/c1-9-2-3-10(11(8-9)15(16)17)12-13-14-4-6-18-7-5-14/h2-3,8H,4-7H2,1H3/b13-12+
InChIKey
AMTBAUIHFFQYHK-OUKQBFOZSA-N
Canonic Smiles
Cc1ccc(c(c1)[N+](=O)[O-])/N=N/N1CCOCC1
Isomeric Smiles
C1CN(CCO1)/N=N/c1ccc(cc1[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
2.6017046
LogD (pH = 7.4)
2.6017046
Log P
2.6017046
Molar Refractivity
70.2365
Polarizability
24.450764
Polar Surface Area
83.01
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