Molecule

ID:54284

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₅
Molecular Mass
262.2182
Exact Mass
262.05897143
Charge
0
InChI
InChI=1S/C12H10N2O5/c1-2-18-12(15)10-7-11(19-13-10)8-4-3-5-9(6-8)14(16)17/h3-7H,2H2,1H3
InChIKey
SSOVVOHZUNJEAK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1noc(c1)c1cccc(c1)[N+](=O)[O-]
Isomeric Smiles
c1c(cc(cc1)c1onc(c1)C(=O)OCC)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.3911371
LogD (pH = 7.4)
2.3911371
Log P
2.3911371
Molar Refractivity
66.2403
Polarizability
25.46357
Polar Surface Area
98.15
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