Molecule

ID:71511

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₅
Molecular Mass
300.26618
Exact Mass
300.07462149
Charge
0
InChI
InChI=1S/C15H12N2O5/c16-12-5-1-4-11(7-12)15(19)22-9-14(18)10-3-2-6-13(8-10)17(20)21/h1-8H,9,16H2
InChIKey
HZQBEZHTQOYYLA-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(=O)OCC(=O)c1cccc(c1)[N+](=O)[O-]
Isomeric Smiles
c1ccc(C(=O)OCC(=O)c2cc(ccc2)[N+](=O)[O-])cc1N
Calculated Properties
JChem
Acid pKa
13.323807
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.3193898
LogD (pH = 7.4)
2.3199952
Log P
2.3200033
Molar Refractivity
80.0101
Polarizability
29.298145
Polar Surface Area
115.21
Rotatable Bonds
6
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