Molecule

ID:96807

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂FNO₂S
Molecular Mass
229.2711832
Exact Mass
229.05727785
Charge
0
InChI
InChI=1S/C10H12FNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h3-6H,1-2,7-8H2
InChIKey
BLFZDHIRHPQTDJ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)S(=O)(=O)N1CCCC1
Isomeric Smiles
S(=O)(=O)(N1CCCC1)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5751281
LogD (pH = 7.4)
1.5751281
Log P
1.5751281
Molar Refractivity
55.7667
Polarizability
21.967638
Polar Surface Area
37.38
Rotatable Bonds
1
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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