Molecule

ID:95751

General Information
Structure
Molecular Formula
C₁₁H₇ClF₃NO₂S
Molecular Mass
309.6919896
Exact Mass
308.98381181
Charge
0
InChI
InChI=1S/C11H7ClF3NO2S/c1-4-7(10(17)18-2)8-9(19-4)5(11(13,14)15)3-6(12)16-8/h3H,1-2H3
InChIKey
VVULSNJQSLJHNB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(C)sc2c1nc(Cl)cc2C(F)(F)F
Isomeric Smiles
s1c(c(c2c1c(cc(n2)Cl)C(F)(F)F)C(=O)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3688564
LogD (pH = 7.4)
4.3688564
Log P
4.3688564
Molar Refractivity
65.7906
Polarizability
25.070953
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
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
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References
Bioactivity
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