Molecule

ID:61413

General Information
Structure
MolImage
Molecular Formula
C₆H₇BrN₂
Molecular Mass
187.03718
Exact Mass
185.97926023
Charge
0
InChI
InChI=1S/C6H7BrN2/c1-4-6(8)2-5(7)3-9-4/h2-3H,8H2,1H3
InChIKey
CBAXYISWNGGXOZ-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1)N)C
Isomeric Smiles
c1(c(cc(cn1)Br)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.77224433
LogD (pH = 7.4)
0.8260359
Log P
0.82677025
Molar Refractivity
40.8158
Polarizability
15.196644
Polar Surface Area
38.91
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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