Molecule

ID:108927

General Information
Structure
MolImage
Molecular Formula
C₆HBiBr₄O₃
Molecular Mass
649.66674
Exact Mass
645.64631489
Charge
0
InChI
InChI=1S/C6H2Br4O2.Bi.H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h11-12H;;1H2/q;+3;/p-3
InChIKey
VTAVFIZOZUAKKE-UHFFFAOYSA-K
Canonic Smiles
O[Bi]1Oc2c(O1)c(Br)c(c(c2Br)Br)Br
Isomeric Smiles
O[Bi]1Oc2c(O1)c(Br)c(Br)c(Br)c2Br
Calculated Properties
JChem
Acid pKa
16.05301
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.4812
LogD (pH = 7.4)
4.4812
Log P
4.4812
Molar Refractivity
60.6468
Polarizability
32.927357
Polar Surface Area
38.69
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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