Molecule

ID:42809

General Information
Structure
MolImage
Molecular Formula
C₈H₄BrF₃N₂
Molecular Mass
265.0299696
Exact Mass
263.9509948
Charge
0
InChI
InChI=1S/C8H4BrF3N2/c9-6-3-13-7-2-1-5(4-14(6)7)8(10,11)12/h1-4H
InChIKey
YZGMUNVIHIZITF-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc2n(c1)c(Br)cn2)(F)F
Isomeric Smiles
n12c(ncc2Br)ccc(c1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8671043
LogD (pH = 7.4)
2.1022184
Log P
2.106506
Molar Refractivity
49.3149
Polarizability
17.73243
Polar Surface Area
17.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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