Molecule

ID:66836

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrF₃N₃
Molecular Mass
266.0180296
Exact Mass
264.94624377
Charge
0
InChI
InChI=1S/C7H3BrF3N3/c8-5-3-12-6-13-4(7(9,10)11)1-2-14(5)6/h1-3H
InChIKey
KNZLHVPYMPIRLG-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc2n1ccc(n2)C(F)(F)F
Isomeric Smiles
c12nc(ccn1c(cn2)Br)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5398747
LogD (pH = 7.4)
1.540099
Log P
1.5401019
Molar Refractivity
47.7961
Polarizability
17.024143
Polar Surface Area
30.19
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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