Molecule

ID:7783

General Information
Structure
Molecular Formula
C₁₂H₁₀FNO₂S
Molecular Mass
251.2767032
Exact Mass
251.04162779
Charge
0
InChI
InChI=1S/C12H10FNO2S/c1-16-12(15)11-9(14)6-10(17-11)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3
InChIKey
YIBRKYVKVWTHEM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc(cc1N)c1ccc(cc1)F
Isomeric Smiles
c1(cc(sc1C(=O)OC)c1ccc(cc1)F)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4973116
LogD (pH = 7.4)
3.4973116
Log P
3.4973116
Molar Refractivity
64.8103
Polarizability
25.165745
Polar Surface Area
52.32
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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