Molecule

ID:22093

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇FN₂O₃S
Molecular Mass
300.3490832
Exact Mass
300.09439163
Charge
0
InChI
InChI=1S/C13H17FN2O3S/c1-20(18,19)12-8-10(14)2-3-11(12)16-6-4-9(5-7-16)13(15)17/h2-3,8-9H,4-7H2,1H3,(H2,15,17)
InChIKey
NESCEWNXAYDQRB-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CCN(CC1)c1ccc(cc1S(=O)(=O)C)F
Isomeric Smiles
c1(ccc(c(c1)S(=O)(=O)C)N1CCC(CC1)C(=O)N)F
Calculated Properties
JChem
Acid pKa
14.87448
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.33046573
LogD (pH = 7.4)
0.33046818
Log P
0.33046818
Molar Refractivity
74.9107
Polarizability
28.747017
Polar Surface Area
80.47
Rotatable Bonds
3
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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