Molecule
ID:29804
General Information
Molecular Formula
C₆H₂Br₂F₃N
Molecular Mass
304.8899896
Exact Mass
302.85060773
Charge
0
InChI
InChI=1S/C6H2Br2F3N/c7-4-3(6(9,10)11)1-2-12-5(4)8/h1-2H
InChIKey
IVEVXLCTUVYZDJ-UHFFFAOYSA-N
Canonic Smiles
Brc1nccc(c1Br)C(F)(F)F
Isomeric Smiles
c1(c(c(ccn1)C(F)(F)F)Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3764486
LogD (pH = 7.4)
3.376449
Log P
3.376449
Molar Refractivity
45.9626
Polarizability
17.264103
Polar Surface Area
12.89
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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