Molecule

ID:92523

General Information
Structure
MolImage
Molecular Formula
C₈H₇BrO₂
Molecular Mass
215.04398
Exact Mass
213.96294146
Charge
0
InChI
InChI=1S/C8H7BrO2/c9-7-2-1-6-4-10-5-11-8(6)3-7/h1-3H,4-5H2
InChIKey
QUGBTFFUNSJJFL-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)OCOC2
Isomeric Smiles
O1c2c(ccc(c2)Br)COC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.39868
LogD (pH = 7.4)
2.39868
Log P
2.39868
Molar Refractivity
44.5516
Polarizability
17.529728
Polar Surface Area
18.46
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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