Molecule

ID:104572

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉N₃O₂
Molecular Mass
215.20806
Exact Mass
215.06947654
Charge
0
InChI
InChI=1S/C11H9N3O2/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11/h1-7,15-16H
InChIKey
RJNYNDHYSJRRDW-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)O)/N=N/c1ccccn1
Isomeric Smiles
Oc1cc(O)c(cc1)/N=N/c1ncccc1
Calculated Properties
JChem
Acid pKa
8.515163
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
3.1483767
LogD (pH = 7.4)
3.1169171
Log P
3.148794
Molar Refractivity
62.4954
Polarizability
21.896496
Polar Surface Area
78.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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