Molecule

ID:99553

General Information
Structure
MolImage
Molecular Formula
C₉H₉BrFNOS
Molecular Mass
278.1412632
Exact Mass
276.95722513
Charge
0
InChI
InChI=1S/C9H9BrFNOS/c1-12(2)9(14)13-8-4-3-6(10)5-7(8)11/h3-5H,1-2H3
InChIKey
ONIVRSHXEFYTEM-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)F)OC(=S)N(C)C
Isomeric Smiles
Brc1ccc(c(c1)F)OC(=S)N(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4956374
LogD (pH = 7.4)
3.4956374
Log P
3.4956374
Molar Refractivity
61.4906
Polarizability
23.63548
Polar Surface Area
12.47
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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