Molecule
ID:94428
General Information
Molecular Formula
C₆H₄FNO₄S
Molecular Mass
205.1636632
Exact Mass
204.98450683
Charge
0
InChI
InChI=1S/C6H4FNO4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H
InChIKey
CWFLJNDQTKMBAM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1)S(=O)(=O)F
Isomeric Smiles
S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.5719438
LogD (pH = 7.4)
1.5719438
Log P
1.5719438
Molar Refractivity
42.9419
Polarizability
16.357536
Polar Surface Area
79.96
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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