Molecule

ID:64819

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrF₃N₃
Molecular Mass
266.0180296
Exact Mass
264.94624377
Charge
0
InChI
InChI=1S/C7H3BrF3N3/c8-5-1-4(7(9,10)11)2-14-6(5)12-3-13-14/h1-3H
InChIKey
FMPBLFALLZDQGA-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(cn2c1ncn2)C(F)(F)F
Isomeric Smiles
c1c(cn2c(c1Br)ncn2)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8112934
LogD (pH = 7.4)
2.8114069
Log P
2.8114083
Molar Refractivity
58.3482
Polarizability
16.978674
Polar Surface Area
30.19
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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