Molecule

ID:61399

General Information
Structure
MolImage
Molecular Formula
C₄H₆BrN₃O
Molecular Mass
192.01394
Exact Mass
190.96942383
Charge
0
InChI
InChI=1S/C4H6BrN3O/c1-8-4(9-2)6-3(5)7-8/h1-2H3
InChIKey
TXZONKWHJWNMDM-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(nc1OC)Br
Isomeric Smiles
n1c(n(nc1Br)C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2997681
LogD (pH = 7.4)
1.2997681
Log P
1.2997681
Molar Refractivity
48.1695
Polarizability
13.788999
Polar Surface Area
39.94
Rotatable Bonds
1
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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