Molecule

ID:64742

General Information
Structure
MolImage
Molecular Formula
C₆H₂Br₂S₂
Molecular Mass
298.01808
Exact Mass
295.79646606
Charge
0
InChI
InChI=1S/C6H2Br2S2/c7-5-1-3-4(10-5)2-6(8)9-3/h1-2H
InChIKey
APDAUBNBDJUQGW-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2c(s1)cc(s2)Br
Isomeric Smiles
c12c(cc(s2)Br)sc(c1)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6053157
LogD (pH = 7.4)
4.6053157
Log P
4.6053157
Molar Refractivity
49.8534
Polarizability
21.142971
Polar Surface Area
0.0
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
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References
Bioactivity
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