Molecule

ID:59938

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀FNO₄S
Molecular Mass
329.3870032
Exact Mass
329.10970735
Charge
0
InChI
InChI=1S/C15H20FNO4S/c16-12-4-6-13(7-5-12)22(20,21)17-11-15(10-14(18)19)8-2-1-3-9-15/h4-7,17H,1-3,8-11H2,(H,18,19)
InChIKey
CFJAKYRESNAMSD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1(CCCCC1)CNS(=O)(=O)c1ccc(cc1)F
Isomeric Smiles
S(=O)(=O)(NCC1(CC(=O)O)CCCCC1)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
3.6424048
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.70781076
LogD (pH = 7.4)
-0.7671842
Log P
2.5622656
Molar Refractivity
79.7385
Polarizability
31.733221
Polar Surface Area
83.47
Rotatable Bonds
5
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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