Molecule

ID:32487

General Information
Structure
MolImage
Molecular Formula
C₆H₅BrINO
Molecular Mass
313.91847
Exact Mass
312.85992379
Charge
0
InChI
InChI=1S/C6H5BrINO/c1-10-5-2-4(8)3-9-6(5)7/h2-3H,1H3
InChIKey
RAUFNFDODWPVMT-UHFFFAOYSA-N
Canonic Smiles
COc1cc(I)cnc1Br
Isomeric Smiles
c1(cnc(c(c1)OC)Br)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5011208
LogD (pH = 7.4)
2.5011213
Log P
2.5011213
Molar Refractivity
52.1918
Polarizability
20.431194
Polar Surface Area
22.12
Rotatable Bonds
1
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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