Molecule

ID:43607

General Information
Structure
MolImage
Molecular Formula
C₅HBrClF₃N₂
Molecular Mass
261.4270496
Exact Mass
259.89637238
Charge
0
InChI
InChI=1S/C5HBrClF3N2/c6-2-3(5(8,9)10)11-1-12-4(2)7/h1H
InChIKey
JFRNHGWPQJPTCO-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc(c1Br)C(F)(F)F
Isomeric Smiles
c1(c(c(ncn1)Cl)Br)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9064088
LogD (pH = 7.4)
2.9064088
Log P
2.9064088
Molar Refractivity
41.8129
Polarizability
15.343074
Polar Surface Area
25.78
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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