Molecule

ID:45032

General Information
Structure
MolImage
Molecular Formula
C₆H₇BrO₂
Molecular Mass
191.02258
Exact Mass
189.96294146
Charge
0
InChI
InChI=1S/C6H7BrO2/c7-6-4(8)2-1-3-5(6)9/h6H,1-3H2
InChIKey
UBUJDMSDEQBNTG-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCC(=O)C1Br
Isomeric Smiles
C1(C(=O)CCCC1=O)Br
Calculated Properties
JChem
Acid pKa
6.093125
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5472206
LogD (pH = 7.4)
0.32536656
Log P
1.6458396
Molar Refractivity
36.3133
Polarizability
14.166345
Polar Surface Area
34.14
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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