Molecule

ID:22282

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClFNO₄S
Molecular Mass
239.6087232
Exact Mass
238.94553448
Charge
0
InChI
InChI=1S/C6H3ClFNO4S/c7-14(12,13)4-1-2-6(9(10)11)5(8)3-4/h1-3H
InChIKey
AAWFUSFNPBRQDE-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1F)S(=O)(=O)Cl
Isomeric Smiles
c1c(c(cc(c1)S(=O)(=O)Cl)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.002235
LogD (pH = 7.4)
2.002235
Log P
2.002235
Molar Refractivity
46.7891
Polarizability
18.329813
Polar Surface Area
77.28
Rotatable Bonds
2
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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