Molecule

ID:105638

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrN₃NaO₂
Molecular Mass
264.01139
Exact Mass
262.93063263
Charge
0
InChI
InChI=1S/C7H3BrN3O2.Na/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7;/h1-3H;/q-1;+1
InChIKey
FEDIMQMZHGJDRZ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc2c1[n-]nc2Br.[Na+]
Isomeric Smiles
[Na+].[O-][N+](=O)c1cccc2c1[n-]nc2Br
Calculated Properties
JChem
Acid pKa
9.6354475
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.2105355
LogD (pH = 7.4)
2.20811
Log P
2.2105665
Molar Refractivity
52.4735
Polarizability
19.185072
Polar Surface Area
71.6
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
No Data Available
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Molecule Details
References
Bioactivity
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