Molecule

ID:16062

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃FN₂O₂S
Molecular Mass
244.2858232
Exact Mass
244.06817689
Charge
0
InChI
InChI=1S/C10H13FN2O2S/c11-9-1-3-10(4-2-9)16(14,15)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey
KKDHOKJGLSITHN-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)S(=O)(=O)N1CCNCC1
Isomeric Smiles
S(=O)(=O)(N1CCNCC1)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0282423
LogD (pH = 7.4)
0.43481153
Log P
0.6334023
Molar Refractivity
58.9811
Polarizability
23.49646
Polar Surface Area
49.41
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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