Molecule

ID:15970

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇BrO
Molecular Mass
223.06598
Exact Mass
221.96802684
Charge
0
InChI
InChI=1S/C10H7BrO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,12H
InChIKey
VWSBGGRCEQOTNU-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)cc(cc2)Br
Isomeric Smiles
c1c(ccc2ccc(cc12)Br)O
Calculated Properties
JChem
Acid pKa
9.776133
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.427887
LogD (pH = 7.4)
3.426098
Log P
3.4279099
Molar Refractivity
52.1119
Polarizability
21.104141
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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