Molecule

ID:11836

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄BrClF₃N
Molecular Mass
310.4976696
Exact Mass
308.91677347
Charge
0
InChI
InChI=1S/C10H4BrClF3N/c11-5-1-2-8-6(3-5)7(12)4-9(16-8)10(13,14)15/h1-4H
InChIKey
JKEQQFAWABXNFV-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)c(Cl)cc(n2)C(F)(F)F
Isomeric Smiles
c1(ccc2c(c1)c(cc(n2)C(F)(F)F)Cl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.7673965
LogD (pH = 7.4)
4.7673965
Log P
4.7673965
Molar Refractivity
58.0086
Polarizability
22.951439
Polar Surface Area
12.89
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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