Molecule
ID:68141
General Information
Molecular Formula
C₇H₃Br₂NS
Molecular Mass
292.97842
Exact Mass
290.8352941
Charge
0
InChI
InChI=1S/C7H3Br2NS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H
InChIKey
LQVHXPZEBKDACR-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)sc(n2)Br
Isomeric Smiles
s1c(nc2c1cc(cc2)Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9462895
LogD (pH = 7.4)
3.9462914
Log P
3.9462914
Molar Refractivity
52.3763
Polarizability
21.507114
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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