Molecule
ID:99667
General Information
Molecular Formula
C₅Br₃F₂N
Molecular Mass
351.7690064
Exact Mass
348.75489145
Charge
0
InChI
InChI=1S/C5Br3F2N/c6-1-2(9)4(7)11-5(8)3(1)10
InChIKey
GKWOSYZICRXPCI-UHFFFAOYSA-N
Canonic Smiles
Brc1nc(Br)c(c(c1F)Br)F
Isomeric Smiles
n1c(c(c(c(c1Br)F)Br)F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.758279
LogD (pH = 7.4)
3.758279
Log P
3.758279
Molar Refractivity
48.8867
Polarizability
18.809446
Polar Surface Area
12.89
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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