Molecule

ID:51432

General Information
Structure
MolImage
Molecular Formula
C₆Br₄O₂
Molecular Mass
423.679
Exact Mass
419.66317724
Charge
0
InChI
InChI=1S/C6Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
InChIKey
LWHDQPLUIFIFFT-UHFFFAOYSA-N
Canonic Smiles
BrC1=C(Br)C(=O)C(=C(C1=O)Br)Br
Isomeric Smiles
C1(=C(Br)C(=O)C(=C(C1=O)Br)Br)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.238755
LogD (pH = 7.4)
3.238755
Log P
3.238755
Molar Refractivity
61.466
Polarizability
23.192427
Polar Surface Area
34.14
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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