Molecule

ID:22593

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrClN
Molecular Mass
192.44102
Exact Mass
190.91373878
Charge
0
InChI
InChI=1S/C5H3BrClN/c6-4-3-8-2-1-5(4)7/h1-3H
InChIKey
QADXKWUCCGPQNR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccncc1Br
Isomeric Smiles
c1cncc(c1Cl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1279507
LogD (pH = 7.4)
2.1283655
Log P
2.1283708
Molar Refractivity
36.3287
Polarizability
14.296674
Polar Surface Area
12.89
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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