Molecule

ID:65811

General Information
Structure
MolImage
Molecular Formula
C₇H₉BrN₂
Molecular Mass
201.06376
Exact Mass
199.9949103
Charge
0
InChI
InChI=1S/C7H9BrN2/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,9-10H2,1H3
InChIKey
JBZQNBSYFRCDRA-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1C)N)N
Isomeric Smiles
c1(ccc(c(c1C)N)N)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5826596
LogD (pH = 7.4)
1.597377
Log P
1.5975679
Molar Refractivity
48.1228
Polarizability
17.179693
Polar Surface Area
52.04
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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