Molecule

ID:91631

General Information
Structure
MolImage
Molecular Formula
C₈H₇BrN₂
Molecular Mass
211.05858
Exact Mass
209.97926023
Charge
0
InChI
InChI=1S/C8H7BrN2/c1-11-5-10-7-3-2-6(9)4-8(7)11/h2-5H,1H3
InChIKey
QDXJAGXUNYFXRG-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)n(C)cn2
Isomeric Smiles
n1cn(c2c1ccc(c2)Br)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9594383
LogD (pH = 7.4)
2.2459958
Log P
2.2519326
Molar Refractivity
47.488
Polarizability
19.116419
Polar Surface Area
17.82
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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