Molecule

ID:87484

General Information
Structure
MolImage
Molecular Formula
C₇H₇BrO₂
Molecular Mass
203.03328
Exact Mass
201.96294146
Charge
0
InChI
InChI=1S/C7H7BrO2/c1-10-7-4-5(9)2-3-6(7)8/h2-4,9H,1H3
InChIKey
UYDZUCNMZXCLJI-UHFFFAOYSA-N
Canonic Smiles
COc1cc(O)ccc1Br
Isomeric Smiles
Oc1cc(c(cc1)Br)OC
Calculated Properties
JChem
Acid pKa
9.049269
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2806401
LogD (pH = 7.4)
2.2711911
Log P
2.280762
Molar Refractivity
42.1249
Polarizability
16.352413
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
No Data Available
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Molecule Details
References
Bioactivity
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