Molecule

ID:6220

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉F₃OS
Molecular Mass
256.3281696
Exact Mass
256.11087089
Charge
0
InChI
InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
InChIKey
WMQHRXUKAYSPPK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCSCC(=O)C(F)(F)F
Isomeric Smiles
CCCCCCCCSCC(=O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
12.483626
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.850579
LogD (pH = 7.4)
4.8505754
Log P
4.850579
Molar Refractivity
62.012
Polarizability
23.399136
Polar Surface Area
17.07
Rotatable Bonds
10
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.68
LOG S
-5.34
Solubility (Water)
1.16e-03 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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