Molecule

ID:32443

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrINO₂
Molecular Mass
341.92857
Exact Mass
340.85483841
Charge
0
InChI
InChI=1S/C7H5BrINO2/c1-4(11)12-6-2-5(8)3-10-7(6)9/h2-3H,1H3
InChIKey
WQSPIUWOXFHIBZ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1cc(Br)cnc1I
Isomeric Smiles
c1(cnc(c(c1)OC(=O)C)I)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0931191
LogD (pH = 7.4)
2.0931191
Log P
2.0931191
Molar Refractivity
55.7269
Polarizability
22.453537
Polar Surface Area
39.19
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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