Molecule

ID:14017

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀FNO₂S
Molecular Mass
227.2553032
Exact Mass
227.04162779
Charge
0
InChI
InChI=1S/C10H10FNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)
InChIKey
GPKWJQGAXZSDCF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CSC(N1)c1ccc(cc1)F
Isomeric Smiles
C1(c2ccc(cc2)F)NC(CS1)C(=O)O
Calculated Properties
JChem
Acid pKa
2.590838
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.44131607
LogD (pH = 7.4)
-1.1055927
Log P
-0.42319068
Molar Refractivity
55.4878
Polarizability
21.787283
Polar Surface Area
49.33
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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