Molecule

ID:51683

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrNO
Molecular Mass
198.01676
Exact Mass
196.94762575
Charge
0
InChI
InChI=1S/C7H4BrNO/c8-6-3-5-1-2-10-7(5)9-4-6/h1-4H
InChIKey
ILFJFOMSHYIUTA-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc2c(c1)cco2
Isomeric Smiles
c1(cnc2c(c1)cco2)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0509114
LogD (pH = 7.4)
2.0509114
Log P
2.0509114
Molar Refractivity
40.3176
Polarizability
16.001133
Polar Surface Area
26.03
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
References
Bioactivity
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