Molecule

ID:100159

General Information
Structure
MolImage
Molecular Formula
C₇H₆BrFS
Molecular Mass
221.0899432
Exact Mass
219.93576141
Charge
0
InChI
InChI=1S/C7H6BrFS/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3
InChIKey
XQGBAFLNAQHQNY-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(cc1Br)F
Isomeric Smiles
Fc1cc(c(cc1)SC)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5129175
LogD (pH = 7.4)
3.5129175
Log P
3.5129175
Molar Refractivity
46.6561
Polarizability
17.769068
Polar Surface Area
0.0
Rotatable Bonds
1
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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