Molecule

ID:43610

General Information
Structure
MolImage
Molecular Formula
C₈H₃BrClF₃N₂
Molecular Mass
299.4750296
Exact Mass
297.91202245
Charge
0
InChI
InChI=1S/C8H3BrClF3N2/c9-7-6(8(11,12)13)14-5-2-1-4(10)3-15(5)7/h1-3H
InChIKey
XZYBSXQLNHMPPY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(c1)c(Br)c(n2)C(F)(F)F
Isomeric Smiles
c1(c(n2c(n1)ccc(c2)Cl)Br)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.095289
LogD (pH = 7.4)
3.096387
Log P
3.096401
Molar Refractivity
53.7477
Polarizability
19.762028
Polar Surface Area
17.3
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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