Molecule

ID:74214

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₄N₂O₂
Molecular Mass
314.33736
Exact Mass
314.1055277
Charge
0
InChI
InChI=1S/C20H14N2O2/c23-22(24)12-11-18-17-7-3-4-8-19(17)21-20(18)16-10-9-14-5-1-2-6-15(14)13-16/h1-13,21H
InChIKey
HFTNZWSUCMVIGY-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)/C=C/c1c([nH]c2c1cccc2)c1ccc2c(c1)cccc2
Isomeric Smiles
[nH]1c(c(c2c1cccc2)/C=C/[N+](=O)[O-])c1ccc2c(c1)cccc2
Calculated Properties
JChem
Acid pKa
14.584937
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.782813
LogD (pH = 7.4)
4.782813
Log P
4.782813
Molar Refractivity
94.5987
Polarizability
39.598564
Polar Surface Area
61.61
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