Molecule

ID:78305

General Information
Structure
MolImage
Molecular Formula
C₇H₅Br₂NO₂
Molecular Mass
294.9281
Exact Mass
292.86870241
Charge
0
InChI
InChI=1S/C7H5Br2NO2/c1-12-7(11)4-2-5(8)10-6(9)3-4/h2-3H,1H3
InChIKey
XGHFPTMUVIDZNF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(Br)nc(c1)Br
Isomeric Smiles
n1c(cc(cc1Br)C(=O)OC)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7075996
LogD (pH = 7.4)
2.7075996
Log P
2.7075996
Molar Refractivity
52.8564
Polarizability
20.06619
Polar Surface Area
39.19
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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