Molecule

ID:9003

General Information
Structure
Molecular Formula
C₆H₂Cl₂FNO₂
Molecular Mass
209.9899832
Exact Mass
208.94466189
Charge
0
InChI
InChI=1S/C6H2Cl2FNO2/c7-3-1-4(8)6(10(11)12)2-5(3)9/h1-2H
InChIKey
CIZHSFBFELYEGN-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(F)c(cc1Cl)Cl
Isomeric Smiles
c1c(c(cc(c1[N+](=O)[O-])Cl)Cl)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2640214
LogD (pH = 7.4)
3.2640214
Log P
3.2640214
Molar Refractivity
42.2045
Polarizability
16.027151
Polar Surface Area
43.14
Rotatable Bonds
1
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