Molecule

ID:64109

General Information
Structure
MolImage
Molecular Formula
C₄H₃BrClNO
Molecular Mass
196.42972
Exact Mass
194.9086534
Charge
0
InChI
InChI=1S/C4H3BrClNO/c5-4-1-3(2-6)8-7-4/h1H,2H2
InChIKey
GQKKVODIBXQDQL-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(no1)Br
Isomeric Smiles
c1c(noc1CCl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8193091
LogD (pH = 7.4)
1.8193091
Log P
1.8193091
Molar Refractivity
35.7094
Polarizability
13.26092
Polar Surface Area
26.03
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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