Molecule
ID:65719
General Information
Molecular Formula
C₇H₅Br₂NO₂
Molecular Mass
294.9281
Exact Mass
292.86870241
Charge
0
InChI
InChI=1S/C7H5Br2NO2/c1-12-7(11)4-3-10-6(9)2-5(4)8/h2-3H,1H3
InChIKey
PBLRATRCAWQHFC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(cc1Br)Br
Isomeric Smiles
c1(ncc(c(c1)Br)C(=O)OC)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5020776
LogD (pH = 7.4)
2.5020776
Log P
2.5020776
Molar Refractivity
52.0142
Polarizability
20.01988
Polar Surface Area
39.19
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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