Molecule

ID:96244

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClF₂NO₄S
Molecular Mass
271.6257664
Exact Mass
270.95176273
Charge
0
InChI
InChI=1S/C7H4ClF2NO4S/c8-5-2-1-4(3-6(5)11(12)13)16(14,15)7(9)10/h1-3,7H
InChIKey
JOZYBWSIYOLHHH-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)C(F)F
Isomeric Smiles
S(=O)(=O)(c1ccc(c(c1)[N+](=O)[O-])Cl)C(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.9561446
LogD (pH = 7.4)
2.9561446
Log P
2.9561446
Molar Refractivity
51.9723
Polarizability
20.098557
Polar Surface Area
79.96
Rotatable Bonds
3
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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