Molecule

ID:70672

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrN₂
Molecular Mass
197.032
Exact Mass
195.96361017
Charge
0
InChI
InChI=1S/C7H5BrN2/c8-6-5-9-10-4-2-1-3-7(6)10/h1-5H
InChIKey
NMPZEHJXHWTZNI-UHFFFAOYSA-N
Canonic Smiles
Brc1cnn2c1cccc2
Isomeric Smiles
c12ccccn1ncc2Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.271917
LogD (pH = 7.4)
2.2719355
Log P
2.2719357
Molar Refractivity
53.6007
Polarizability
16.735231
Polar Surface Area
17.3
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
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References
Bioactivity
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