Molecule

ID:21948

General Information
Structure
MolImage
Molecular Formula
C₅H₂Br₂ClN
Molecular Mass
271.33708
Exact Mass
268.82425075
Charge
0
InChI
InChI=1S/C5H2Br2ClN/c6-3-1-4(7)5(8)9-2-3/h1-2H
InChIKey
PYSICVOJSJMFKP-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1)Br)Cl
Isomeric Smiles
c1(cnc(c(c1)Br)Cl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1173005
LogD (pH = 7.4)
3.1173005
Log P
3.1173005
Molar Refractivity
45.0128
Polarizability
17.514801
Polar Surface Area
12.89
Rotatable Bonds
0
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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