Molecule

ID:32472

General Information
Structure
MolImage
Molecular Formula
C₅H₂Br₂INO
Molecular Mass
378.78795
Exact Mass
376.75478569
Charge
0
InChI
InChI=1S/C5H2Br2INO/c6-4-2(8)1-3(10)5(7)9-4/h1,10H
InChIKey
ROFLBQPJOBJFTH-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(I)c(nc1Br)Br
Isomeric Smiles
c1(c(nc(c(c1)O)Br)Br)I
Calculated Properties
JChem
Acid pKa
6.20424
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.253164
LogD (pH = 7.4)
2.2408004
Log P
3.3295019
Molar Refractivity
56.1745
Polarizability
21.909567
Polar Surface Area
33.12
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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