Molecule

ID:21820

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇BrO
Molecular Mass
223.06598
Exact Mass
221.96802684
Charge
0
InChI
InChI=1S/C10H7BrO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H
InChIKey
FQJZPYXGPYJJIH-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1Br)cccc2
Isomeric Smiles
c1(c2c(ccc1O)cccc2)Br
Calculated Properties
JChem
Acid pKa
7.9237065
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4262872
LogD (pH = 7.4)
3.3150537
Log P
3.4279099
Molar Refractivity
52.1119
Polarizability
21.115248
Polar Surface Area
20.23
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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