Molecule

ID:78130

General Information
Structure
MolImage
Molecular Formula
C₅H₅BrClNO
Molecular Mass
210.4563
Exact Mass
208.92430347
Charge
0
InChI
InChI=1S/C5H4BrNO.ClH/c6-5-2-1-3-7(8)4-5;/h1-4H;1H
InChIKey
VJMWFTNOBOUFRF-UHFFFAOYSA-N
Canonic Smiles
[O-][n+]1cccc(c1)Br.Cl
Isomeric Smiles
[n+]1(cc(ccc1)Br)[O-].Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.2641659
LogD (pH = 7.4)
0.26416904
Log P
0.2641691
Molar Refractivity
35.2134
Polarizability
12.871301
Polar Surface Area
25.46
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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