Molecule

ID:40613

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁F₃O₃S
Molecular Mass
316.2955496
Exact Mass
316.03809987
Charge
0
InChI
InChI=1S/C14H11F3O3S/c1-19-13(18)12-11(5-6-21-12)20-8-9-3-2-4-10(7-9)14(15,16)17/h2-7H,8H2,1H3
InChIKey
AWWGGWWMTZUJDX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sccc1OCc1cccc(c1)C(F)(F)F
Isomeric Smiles
c1(c(ccs1)OCc1cc(ccc1)C(F)(F)F)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3342543
LogD (pH = 7.4)
4.3342543
Log P
4.3342543
Molar Refractivity
72.0227
Polarizability
26.77623
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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