Molecule

ID:67745

General Information
Structure
MolImage
Molecular Formula
C₇H₇BrN₂
Molecular Mass
199.04788
Exact Mass
197.97926023
Charge
0
InChI
InChI=1S/C7H7BrN2/c8-6-3-5-1-2-9-7(5)10-4-6/h3-4H,1-2H2,(H,9,10)
InChIKey
UZGNFPCHQUHZAI-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc2c(c1)CCN2
Isomeric Smiles
c12c(cc(cn1)Br)CCN2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.461818
LogD (pH = 7.4)
1.6288037
Log P
1.6314502
Molar Refractivity
45.3408
Polarizability
16.306828
Polar Surface Area
24.92
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
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Molecule Details
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References
Bioactivity
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