Molecule

ID:67615

General Information
Structure
MolImage
Molecular Formula
C₄H₃BrClN₃
Molecular Mass
208.44372
Exact Mass
206.91988679
Charge
0
InChI
InChI=1S/C4H3BrClN3/c5-2-1-3(6)8-9-4(2)7/h1H,(H2,7,9)
InChIKey
FGOWNGCSUSKHQI-UHFFFAOYSA-N
Canonic Smiles
Clc1nnc(c(c1)Br)N
Isomeric Smiles
c1(c(cc(nn1)Cl)Br)N
Calculated Properties
JChem
Acid pKa
17.814276
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1342471
LogD (pH = 7.4)
1.1343087
Log P
1.1343095
Molar Refractivity
42.2672
Polarizability
14.768424
Polar Surface Area
51.8
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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