Molecule

ID:24025

General Information
Structure
MolImage
Molecular Formula
C₃H₈BrN₅
Molecular Mass
194.03312
Exact Mass
192.99630728
Charge
0
InChI
InChI=1S/C3H7N5.BrH/c1-2-6-7-3(4)8(2)5;/h5H2,1H3,(H2,4,7);1H
InChIKey
MODVUHVPFJLRDH-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc(n1N)N.Br
Isomeric Smiles
n1(c(nnc1N)C)N.Br
Calculated Properties
JChem
Acid pKa
19.210442
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.0948102
LogD (pH = 7.4)
-2.0929103
Log P
-2.0928862
Molar Refractivity
33.7382
Polarizability
10.380935
Polar Surface Area
82.75
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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