Molecule

ID:110162

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂AsN₃O₃
Molecular Mass
321.16358
Exact Mass
321.00946226
Charge
0
InChI
InChI=1S/C12H12AsN3O3/c14-10-3-7-12(8-4-10)16-15-11-5-1-9(2-6-11)13(17,18)19/h1-8H,14H2,(H2,17,18,19)
InChIKey
DOEADYYICZVJDD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)/N=N/c1ccc(cc1)[As](=O)(O)O
Isomeric Smiles
Nc1ccc(cc1)/N=N/c1ccc(cc1)[As](=O)(O)O
Calculated Properties
JChem
Acid pKa
3.5273747
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
0.5689091
LogD (pH = 7.4)
0.17068912
Log P
2.0275326
Molar Refractivity
71.0658
Polarizability
28.138176
Polar Surface Area
108.27
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation