Molecule

ID:78138

General Information
Structure
MolImage
Molecular Formula
C₆H₉BrO₂
Molecular Mass
193.03846
Exact Mass
191.97859153
Charge
0
InChI
InChI=1S/C6H9BrO2/c1-3-9-6(8)5(2)4-7/h2-4H2,1H3
InChIKey
MTCMFVTVXAOHNQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=C)CBr
Isomeric Smiles
BrCC(=C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9238491
LogD (pH = 7.4)
1.9238491
Log P
1.9238491
Molar Refractivity
38.9754
Polarizability
15.164677
Polar Surface Area
26.3
Rotatable Bonds
4
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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