Molecule

ID:43581

General Information
Structure
MolImage
Molecular Formula
C₇H₅Br₂NO₂
Molecular Mass
294.9281
Exact Mass
292.86870241
Charge
0
InChI
InChI=1S/C7H5Br2NO2/c8-4-5-1-2-6(10(11)12)3-7(5)9/h1-3H,4H2
InChIKey
IHNSPLNYBYYNKQ-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(cc1Br)[N+](=O)[O-]
Isomeric Smiles
c1(ccc(cc1Br)[N+](=O)[O-])CBr
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.45472
LogD (pH = 7.4)
3.45472
Log P
3.45472
Molar Refractivity
52.8517
Polarizability
20.028917
Polar Surface Area
43.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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