Molecule

ID:65723

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrClNO
Molecular Mass
220.45112
Exact Mass
218.9086534
Charge
0
InChI
InChI=1S/C6H3BrClNO/c7-6-1-5(8)4(3-10)2-9-6/h1-3H
InChIKey
IIBVGXCUNFIUJO-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Br)ncc1C=O
Isomeric Smiles
c1(ncc(c(c1)Cl)C=O)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0463946
LogD (pH = 7.4)
2.046395
Log P
2.046395
Molar Refractivity
43.7549
Polarizability
16.321293
Polar Surface Area
29.96
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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