Molecule
ID:98431
General Information
Molecular Formula
C₇H₃BrFNZn
Molecular Mass
265.3878232
Exact Mass
262.87243132
Charge
0
InChI
InChI=1S/C7H3FN.BrH.Zn/c8-7-4-2-1-3-6(7)5-9;;/h2-4H;1H;/q;;+1/p-1
InChIKey
SHJQYZXENZYZKE-UHFFFAOYSA-M
Canonic Smiles
Br[Zn]c1ccc(c(c1)C#N)F
Isomeric Smiles
N#Cc1c(ccc(c1)[Zn]Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1468
LogD (pH = 7.4)
2.1468
Log P
2.1468
Molar Refractivity
40.1475
Polarizability
18.240965
Polar Surface Area
23.79
Rotatable Bonds
1
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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