Molecule
ID:8717
General Information
Molecular Formula
C₆H₃Br₂ClO₂S
Molecular Mass
334.41282
Exact Mass
331.79090202
Charge
0
InChI
InChI=1S/C6H3Br2ClO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H
InChIKey
PBCQAUMKUSTMJD-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1Br)S(=O)(=O)Cl
Isomeric Smiles
c1cc(cc(c1Br)Br)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4570541
LogD (pH = 7.4)
3.4570541
Log P
3.4570541
Molar Refractivity
55.4978
Polarizability
22.561962
Polar Surface Area
34.14
Rotatable Bonds
1
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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