Molecule

ID:77655

General Information
Structure
MolImage
Molecular Formula
C₄H₂Br₂ClNS
Molecular Mass
291.39138
Exact Mass
288.79632175
Charge
0
InChI
InChI=1S/C4H2Br2ClNS/c5-3-2(1-7)8-4(6)9-3/h1H2
InChIKey
RMNOQKGRQSKMQO-UHFFFAOYSA-N
Canonic Smiles
ClCc1nc(sc1Br)Br
Isomeric Smiles
n1c(sc(c1CCl)Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2995682
LogD (pH = 7.4)
3.2995682
Log P
3.2995682
Molar Refractivity
45.0186
Polarizability
18.253448
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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