Molecule

ID:17513

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂F₂N₂O₂S
Molecular Mass
262.2762864
Exact Mass
262.05875507
Charge
0
InChI
InChI=1S/C10H12F2N2O2S/c11-9-2-1-8(7-10(9)12)17(15,16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKey
XKGBMSVWWYWNRI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1F)S(=O)(=O)N1CCNCC1
Isomeric Smiles
c1(S(=O)(=O)N2CCNCC2)cc(c(cc1)F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8855404
LogD (pH = 7.4)
0.57751346
Log P
0.7761042
Molar Refractivity
59.1975
Polarizability
23.2826
Polar Surface Area
49.41
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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