Molecule

ID:41761

General Information
Structure
MolImage
Molecular Formula
C₇H₇BrO₂
Molecular Mass
203.03328
Exact Mass
201.96294146
Charge
0
InChI
InChI=1S/C7H7BrO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChIKey
LTMSUXSPKZRMAB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)Br)O
Isomeric Smiles
c1(cc(ccc1O)OC)Br
Calculated Properties
JChem
Acid pKa
8.564712
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2803903
LogD (pH = 7.4)
2.252198
Log P
2.280762
Molar Refractivity
42.1249
Polarizability
16.351841
Polar Surface Area
29.46
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
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Molecule Details
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References
Bioactivity
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