Molecule

ID:63959

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrClN₃
Molecular Mass
232.46512
Exact Mass
230.91988679
Charge
0
InChI
InChI=1S/C6H3BrClN3/c7-5-2-1-4-6(8)9-3-10-11(4)5/h1-3H
InChIKey
WHHDFKYGOMDNGN-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnn2c1ccc2Br
Isomeric Smiles
c1nc(c2n(n1)c(cc2)Br)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0906749
LogD (pH = 7.4)
2.090675
Log P
2.090675
Molar Refractivity
58.07
Polarizability
18.03418
Polar Surface Area
30.19
Rotatable Bonds
0
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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