Molecule

ID:48281

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₄
Molecular Mass
284.26678
Exact Mass
284.07970687
Charge
0
InChI
InChI=1S/C15H12N2O4/c18-15(19)11-5-6-13(14(9-11)17(20)21)16-8-7-10-3-1-2-4-12(10)16/h1-6,9H,7-8H2,(H,18,19)
InChIKey
AQELSTUQMKWXFA-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1N1CCc2c1cccc2)C(=O)O
Isomeric Smiles
c1([N+](=O)[O-])c(N2c3c(CC2)cccc3)ccc(c1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.265588
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.017483
LogD (pH = 7.4)
0.2865268
Log P
3.2743032
Molar Refractivity
77.3314
Polarizability
28.161633
Polar Surface Area
86.36
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