Molecule
ID:51447
General Information
Molecular Formula
C₇H₅BrN₂
Molecular Mass
197.032
Exact Mass
195.96361017
Charge
0
InChI
InChI=1S/C7H5BrN2/c8-6-2-1-4-10-5-3-9-7(6)10/h1-5H
InChIKey
GCCVNNZARPFXES-UHFFFAOYSA-N
Canonic Smiles
Brc1cccn2c1ncc2
Isomeric Smiles
c12c(cccn1ccn2)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1279685
LogD (pH = 7.4)
1.5188092
Log P
1.5283021
Molar Refractivity
43.5592
Polarizability
16.13238
Polar Surface Area
17.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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