Molecule

ID:100190

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂FNO₂
Molecular Mass
209.9899832
Exact Mass
208.94466189
Charge
0
InChI
InChI=1S/C6H2Cl2FNO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
InChIKey
FXOCDIKCKFOUDE-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(Cl)c(cc1F)Cl
Isomeric Smiles
Clc1cc(c(cc1Cl)F)[N+](=O)[O-]
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
43.2087
Polarizability
16.004137
Polar Surface Area
45.82
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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