Molecule

ID:97346

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀F₃NO₃S
Molecular Mass
317.2836096
Exact Mass
317.03334885
Charge
0
InChI
InChI=1S/C13H10F3NO3S/c1-19-12(18)10-4-3-9(20-10)7-21-11-5-2-8(6-17-11)13(14,15)16/h2-6H,7H2,1H3
InChIKey
GPVOSRWCXYBDCC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(o1)CSc1ccc(cn1)C(F)(F)F
Isomeric Smiles
o1c(ccc1C(=O)OC)CSc1ncc(cc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.304351
LogD (pH = 7.4)
3.3046057
Log P
3.304609
Molar Refractivity
72.0567
Polarizability
26.504206
Polar Surface Area
52.33
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
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Molecule Details
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References
Bioactivity
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