Molecule

ID:85552

General Information
Structure
Molecular Formula
C₁₀H₁₁NO₄
Molecular Mass
209.19864
Exact Mass
209.06880784
Charge
0
InChI
InChI=1S/C10H11NO4/c1-14-9-5-3-4-8(10(9)15-2)6-7-11(12)13/h3-7H,1-2H3
InChIKey
OFJZSDMKKDTNHZ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)/C=C/c1cccc(c1OC)OC
Isomeric Smiles
[N+](=O)(/C=C/c1c(c(ccc1)OC)OC)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8213055
LogD (pH = 7.4)
1.8213055
Log P
1.8213055
Molar Refractivity
53.9705
Polarizability
20.818186
Polar Surface Area
61.6
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