Molecule

ID:67254

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrFNS
Molecular Mass
232.0728232
Exact Mass
230.91536032
Charge
0
InChI
InChI=1S/C7H3BrFNS/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H
InChIKey
GIANOUBNTGQAID-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)sc(n2)Br
Isomeric Smiles
s1c(nc2c1cc(cc2)F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.320238
LogD (pH = 7.4)
3.3202407
Log P
3.3202407
Molar Refractivity
44.9699
Polarizability
18.298937
Polar Surface Area
12.89
Rotatable Bonds
0
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
References
Bioactivity
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