Molecule

ID:81208

General Information
Structure
MolImage
Molecular Formula
C₇H₇Br₃O
Molecular Mass
346.84188
Exact Mass
343.80470084
Charge
0
InChI
InChI=1S/C7H7Br3O/c1-7(2)5(9)3(8)4(11)6(7)10/h6H,1-2H3
InChIKey
GDOWPVPCUGJNFA-UHFFFAOYSA-N
Canonic Smiles
O=C1C(=C(C(C1Br)(C)C)Br)Br
Isomeric Smiles
O=C1C(=C(C(C1Br)(C)C)Br)Br
Calculated Properties
JChem
Acid pKa
16.991718
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4085753
LogD (pH = 7.4)
3.4085753
Log P
3.4085753
Molar Refractivity
56.2796
Polarizability
21.685955
Polar Surface Area
17.07
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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