Molecule

ID:67936

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrIN₂
Molecular Mass
322.92853
Exact Mass
321.86025814
Charge
0
InChI
InChI=1S/C7H4BrIN2/c8-4-1-2-10-7-6(4)5(9)3-11-7/h1-3H,(H,10,11)
InChIKey
HBIIPYGVYOJSOV-UHFFFAOYSA-N
Canonic Smiles
Brc1ccnc2c1c(I)c[nH]2
Isomeric Smiles
[nH]1cc(c2c(ccnc12)Br)I
Calculated Properties
JChem
Acid pKa
13.463328
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9191158
LogD (pH = 7.4)
2.9194894
Log P
2.9194946
Molar Refractivity
55.9255
Polarizability
22.197842
Polar Surface Area
28.68
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
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References
Bioactivity
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