Molecule

ID:63383

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrN₂
Molecular Mass
197.032
Exact Mass
195.96361017
Charge
0
InChI
InChI=1S/C7H5BrN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)
InChIKey
HTKXRTUKPXEALT-UHFFFAOYSA-N
Canonic Smiles
Brc1n[nH]c2c1cccc2
Isomeric Smiles
c12c(Br)n[nH]c1cccc2
Calculated Properties
JChem
Acid pKa
10.530591
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2705777
LogD (pH = 7.4)
2.2702687
Log P
2.2705824
Molar Refractivity
44.5381
Polarizability
17.4273
Polar Surface Area
28.68
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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