Molecule

ID:69341

General Information
Structure
Molecular Formula
C₇H₄BrNO
Molecular Mass
198.01676
Exact Mass
196.94762575
Charge
0
InChI
InChI=1S/C7H4BrNO/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H
InChIKey
QHNORIBEFNHZMQ-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)onc2
Isomeric Smiles
o1ncc2ccc(cc12)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1254215
LogD (pH = 7.4)
2.1254218
Log P
2.1254218
Molar Refractivity
41.4505
Polarizability
16.617462
Polar Surface Area
26.03
Rotatable Bonds
0
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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