Molecule

ID:95821

General Information
Structure
MolImage
Molecular Formula
C₆H₂ClF₂NO₂
Molecular Mass
193.5353864
Exact Mass
192.97421243
Charge
0
InChI
InChI=1S/C6H2ClF2NO2/c7-5-3(8)1-2-4(6(5)9)10(11)12/h1-2H
InChIKey
CTVBVNKEMCGZDF-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1F)Cl)F
Isomeric Smiles
[N+](=O)(c1c(c(c(cc1)F)Cl)F)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8026786
LogD (pH = 7.4)
2.8026786
Log P
2.8026786
Molar Refractivity
38.6203
Polarizability
13.924232
Polar Surface Area
45.82
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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