Molecule

ID:78501

General Information
Structure
MolImage
Molecular Formula
C₅H₅BrClNO
Molecular Mass
210.4563
Exact Mass
208.92430347
Charge
0
InChI
InChI=1S/C5H4BrNO.ClH/c6-5-3-1-2-4-7(5)8;/h1-4H;1H
InChIKey
FRYPQGMFDZBQEW-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc[n+]1[O-].Cl
Isomeric Smiles
[n+]1(c(cccc1)Br)[O-].Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.48210946
LogD (pH = 7.4)
0.4821115
Log P
0.48211154
Molar Refractivity
34.6182
Polarizability
12.922172
Polar Surface Area
26.94
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
References
Bioactivity
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