Molecule
ID:123037
General Information
Molecular Formula
C₄H₃BrCl₂N₂
Molecular Mass
229.89002
Exact Mass
227.88566547
Charge
0
InChI
InChI=1S/C4H3BrCl2N2/c1-9-3(7)2(6)8-4(9)5/h1H3
InChIKey
MELULNLISMUDSX-UHFFFAOYSA-N
Canonic Smiles
Brc1nc(c(n1C)Cl)Cl
Isomeric Smiles
n1c(n(c(c1Cl)Cl)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.285785
LogD (pH = 7.4)
2.285796
Log P
2.2857962
Molar Refractivity
42.2063
Polarizability
16.098038
Polar Surface Area
17.82
Rotatable Bonds
0
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
No Data Available
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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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