Molecule

ID:80820

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₂NO₂
Molecular Mass
282.12206
Exact Mass
281.00103389
Charge
0
InChI
InChI=1S/C13H9Cl2NO2/c14-10-6-9(13(17)12(15)7-10)8-16(18)11-4-2-1-3-5-11/h1-8,17H
InChIKey
PONNARMTLBEPBV-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)/C=[N+](/c1ccccc1)\[O-])O
Isomeric Smiles
[N+](=C\c1cc(cc(c1O)Cl)Cl)(/c1ccccc1)\[O-]
Calculated Properties
JChem
Acid pKa
6.6396317
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1373878
LogD (pH = 7.4)
3.3574405
Log P
4.1678085
Molar Refractivity
82.8217
Polarizability
27.405237
Polar Surface Area
48.98
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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