Molecule

ID:64813

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrN₂
Molecular Mass
197.032
Exact Mass
195.96361017
Charge
0
InChI
InChI=1S/C7H5BrN2/c8-6-1-3-10-4-2-9-7(10)5-6/h1-5H
InChIKey
OASOJRLJBDCVNU-UHFFFAOYSA-N
Canonic Smiles
Brc1ccn2c(c1)ncc2
Isomeric Smiles
c1(ccn2c(c1)ncc2)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8107684
LogD (pH = 7.4)
1.492418
Log P
1.5283021
Molar Refractivity
43.5592
Polarizability
16.121843
Polar Surface Area
17.3
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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