Molecule
ID:25207
General Information
Molecular Formula
C₄H₄BrClN₂
Molecular Mass
195.44496
Exact Mass
193.92463782
Charge
0
InChI
InChI=1S/C4H4BrClN2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8)
InChIKey
CJPLPFWEQQWZAZ-UHFFFAOYSA-N
Canonic Smiles
Clc1n[nH]c(c1Br)C
Isomeric Smiles
c1(c(n[nH]c1C)Cl)Br
Calculated Properties
JChem
Acid pKa
13.145356
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.06996
LogD (pH = 7.4)
2.069965
Log P
2.0699656
Molar Refractivity
38.384
Polarizability
13.960487
Polar Surface Area
28.68
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
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Related Proteins
No Data Available
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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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