Molecule

ID:70478

General Information
Structure
MolImage
Molecular Formula
C₄H₃BrO
Molecular Mass
146.97002
Exact Mass
145.93672672
Charge
0
InChI
InChI=1S/C4H3BrO/c5-4-2-1-3-6-4/h1-3H
InChIKey
OYMCMWPHMPODNK-UHFFFAOYSA-N
Canonic Smiles
Brc1ccco1
Isomeric Smiles
o1c(ccc1)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.5825994
LogD (pH = 7.4)
1.5825994
Log P
1.5825994
Molar Refractivity
25.9762
Polarizability
10.2675295
Polar Surface Area
13.14
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
No Data Available
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Molecule Details
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References
Bioactivity
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