Molecule

ID:37488

General Information
Structure
MolImage
Molecular Formula
C₈H₃Br₂ClFN
Molecular Mass
327.3755232
Exact Mass
324.830479
Charge
0
InChI
InChI=1S/C8H3Br2ClFN/c9-8(10)4-1-2-6(12)7(11)5(4)3-13/h1-2,8H
InChIKey
PDAXKKVQGYJLIT-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(ccc(c1Cl)F)C(Br)Br
Isomeric Smiles
c1c(c(c(c(c1)C(Br)Br)C#N)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3758585
LogD (pH = 7.4)
3.3758585
Log P
3.3758585
Molar Refractivity
57.355
Polarizability
21.642448
Polar Surface Area
23.79
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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