Molecule

ID:105670

General Information
Structure
MolImage
Molecular Formula
C₉H₅N₃O₂
Molecular Mass
187.1549
Exact Mass
187.03817642
Charge
0
InChI
InChI=1S/C9H5N3O2/c13-9-12-7-4-2-1-3-6(7)10-5-8(12)11-14-9/h1-5H
InChIKey
LZMHWZHOZLVYDL-UHFFFAOYSA-N
Canonic Smiles
O=c1onc2n1c1ccccc1nc2
Isomeric Smiles
O=c1onc2cnc3c(cccc3)n12
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7396868
LogD (pH = 7.4)
1.7396868
Log P
1.7396868
Molar Refractivity
49.434
Polarizability
17.766357
Polar Surface Area
54.26
Rotatable Bonds
0
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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