Molecule

ID:100204

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅F₁₇S
Molecular Mass
480.1845544
Exact Mass
479.9840509
Charge
0
InChI
InChI=1S/C10H5F17S/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2
InChIKey
URJIJZCEKHSLHA-UHFFFAOYSA-N
Canonic Smiles
SCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
SCCC(C(F)(C(F)(F)C(F)(C(C(C(F)(C(F)(F)F)F)(F)F)(F)F)F)F)(F)F
Calculated Properties
JChem
Acid pKa
10.145332
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
6.8626814
LogD (pH = 7.4)
6.861967
Log P
6.8626904
Molar Refractivity
56.8678
Polarizability
21.970049
Polar Surface Area
0.0
Rotatable Bonds
9
Lipinski's Rule of Five
false
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
References
Bioactivity
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