Molecule
ID:67219
General Information
Molecular Formula
C₄H₂Br₂ClN₃
Molecular Mass
287.33978
Exact Mass
284.83039876
Charge
0
InChI
InChI=1S/C4H2Br2ClN3/c5-1-3(7)10-4(8)2(6)9-1/h(H2,8,10)
InChIKey
KMOICDJWYSOXRT-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(Cl)c(nc1Br)Br
Isomeric Smiles
c1(c(nc(c(n1)Cl)Br)Br)N
Calculated Properties
JChem
Acid pKa
17.23046
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0762036
LogD (pH = 7.4)
2.0762036
Log P
2.0762036
Molar Refractivity
49.5542
Polarizability
18.082396
Polar Surface Area
51.8
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
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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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