Molecule
ID:98106
General Information
Molecular Formula
C₇H₃Br₂FN₂
Molecular Mass
293.9185232
Exact Mass
291.86470033
Charge
0
InChI
InChI=1S/C7H3Br2FN2/c8-4-2-6-3(1-5(4)10)7(9)12-11-6/h1-2H,(H,11,12)
InChIKey
GLGCSECGRMBGOJ-UHFFFAOYSA-N
Canonic Smiles
Fc1cc2c(Br)n[nH]c2cc1Br
Isomeric Smiles
[nH]1c2cc(c(cc2c(n1)Br)F)Br
Calculated Properties
JChem
Acid pKa
12.746365
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1820362
LogD (pH = 7.4)
3.182035
Log P
3.1820369
Molar Refractivity
52.3773
Polarizability
20.34261
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
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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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