Molecule

ID:95052

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₃N₂O₃S
Molecular Mass
256.2022896
Exact Mass
256.01294775
Charge
0
InChI
InChI=1S/C7H7F3N2O3S/c8-7(9,10)15-4-1-2-5(11)6(3-4)16(12,13)14/h1-3H,11H2,(H2,12,13,14)
InChIKey
NSRXPJZQNYNQHG-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1S(=O)(=O)N)OC(F)(F)F
Isomeric Smiles
S(=O)(=O)(c1cc(ccc1N)OC(F)(F)F)N
Calculated Properties
JChem
Acid pKa
10.254752
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.1814218
LogD (pH = 7.4)
1.1809247
Log P
1.1814622
Molar Refractivity
45.9866
Polarizability
18.995535
Polar Surface Area
95.41
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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