Molecule

ID:100261

General Information
Structure
MolImage
Molecular Formula
C₁₄H₇F₅O₄S
Molecular Mass
366.259996
Exact Mass
365.9985208
Charge
0
InChI
InChI=1S/C14H7F5O4S/c15-6-7(16)9(18)11(10(19)8(6)17)23-13(20)12-5(1-4-24-12)14-21-2-3-22-14/h1,4,14H,2-3H2
InChIKey
FHURIHOENRMCSL-UHFFFAOYSA-N
Canonic Smiles
O=C(c1sccc1C1OCCO1)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
O(c1c(c(c(c(c1F)F)F)F)F)C(=O)c1c(C2OCCO2)ccs1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.2442265
LogD (pH = 7.4)
4.2442265
Log P
4.2442265
Molar Refractivity
71.212
Polarizability
26.579971
Polar Surface Area
44.76
Rotatable Bonds
4
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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