Molecule

ID:98706

General Information
Structure
MolImage
Molecular Formula
C₄HF₉O₄S
Molecular Mass
316.0989688
Exact Mass
315.94518349
Charge
0
InChI
InChI=1S/C4HF9O4S/c5-1(6,7)2(8,9)17-3(10,11)4(12,13)18(14,15)16/h(H,14,15,16)
InChIKey
RJGUAQKOHAABLK-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)(OC(C(S(=O)(=O)O)(F)F)(F)F)F
Isomeric Smiles
O(C(F)(F)C(F)(F)F)C(C(S(=O)(=O)O)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
-3.3220124
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.49887484
LogD (pH = 7.4)
0.4988747
Log P
0.5441794
Molar Refractivity
35.1446
Polarizability
14.1219425
Polar Surface Area
63.6
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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