Molecule

ID:94216

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂FNO₂
Molecular Mass
209.9899832
Exact Mass
208.94466189
Charge
0
InChI
InChI=1S/C6H2Cl2FNO2/c7-3-1-2-4(10(11)12)5(8)6(3)9/h1-2H
InChIKey
JSEVUBOYVADSHX-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1Cl)F)Cl
Isomeric Smiles
[N+](=O)(c1c(c(c(cc1)Cl)F)Cl)[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
42.2045
Polarizability
16.052782
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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