Molecule

ID:93971

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂FNO₂
Molecular Mass
209.9899832
Exact Mass
208.94466189
Charge
0
InChI
InChI=1S/C6H2Cl2FNO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H
InChIKey
VMAATSFMXSMKPG-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)F
Isomeric Smiles
Clc1cc(cc(c1F)Cl)[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
42.2045
Polarizability
16.02564
Polar Surface Area
43.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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