Molecule

ID:94010

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄BrClF₃N
Molecular Mass
310.4976696
Exact Mass
308.91677347
Charge
0
InChI
InChI=1S/C10H4BrClF3N/c11-7-8(12)5-3-1-2-4-6(5)16-9(7)10(13,14)15/h1-4H
InChIKey
NIZYLEKJSBTGJS-UHFFFAOYSA-N
Canonic Smiles
Brc1c(Cl)c2ccccc2nc1C(F)(F)F
Isomeric Smiles
n1c(c(c(c2ccccc12)Cl)Br)C(F)(F)F
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
22.971224
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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