Molecule

ID:81206

General Information
Structure
MolImage
Molecular Formula
C₇H₆Br₄O
Molecular Mass
425.73794
Exact Mass
421.71521281
Charge
0
InChI
InChI=1S/C7H6Br4O/c1-6(2)4(9)3(8)5(12)7(6,10)11/h1-2H3
InChIKey
NNBHWEPFYRYVMH-UHFFFAOYSA-N
Canonic Smiles
BrC1=C(Br)C(C(C1=O)(Br)Br)(C)C
Isomeric Smiles
O=C1C(C(C(=C1Br)Br)(C)C)(Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7253306
LogD (pH = 7.4)
3.7253306
Log P
3.7253306
Molar Refractivity
64.4959
Polarizability
24.87564
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
No Data Available
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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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