Molecule

ID:13732

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrClN
Molecular Mass
192.44102
Exact Mass
190.91373878
Charge
0
InChI
InChI=1S/C5H3BrClN/c6-5-2-1-4(7)3-8-5/h1-3H
InChIKey
BZUUVQCSPHPUQA-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cn1)Cl
Isomeric Smiles
c1(cnc(cc1)Br)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.333892
LogD (pH = 7.4)
2.3338926
Log P
2.3338928
Molar Refractivity
37.1709
Polarizability
14.339597
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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