Molecule

ID:112766

General Information
Structure
MolImage
Molecular Formula
C₈H₅Br₃O₂
Molecular Mass
372.8361
Exact Mass
369.7839654
Charge
0
InChI
InChI=1S/C8H5Br3O2/c1-4(12)13-8-6(10)2-5(9)3-7(8)11/h2-3H,1H3
InChIKey
SLENHFBXWIEZCY-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1c(Br)cc(cc1Br)Br
Isomeric Smiles
CC(=O)Oc1c(Br)cc(Br)cc1Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8867648
LogD (pH = 7.4)
3.8867648
Log P
3.8867648
Molar Refractivity
60.0588
Polarizability
23.925165
Polar Surface Area
26.3
Rotatable Bonds
2
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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