Molecule

ID:7985

General Information
Structure
MolImage
Molecular Formula
C₇H₆BrCl
Molecular Mass
205.47954
Exact Mass
203.93413987
Charge
0
InChI
InChI=1S/C7H6BrCl/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChIKey
PURSZYWBIQIANP-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccccc1Cl
Isomeric Smiles
c1ccc(c(c1)Cl)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3500278
LogD (pH = 7.4)
3.3500278
Log P
3.3500278
Molar Refractivity
43.7132
Polarizability
16.778662
Polar Surface Area
0.0
Rotatable Bonds
1
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
References
Bioactivity
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