Molecule

ID:44376

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₂
Molecular Mass
203.19736
Exact Mass
203.06947654
Charge
0
InChI
InChI=1S/C10H9N3O2/c14-13(15)10-6-11-12(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKey
IYZHZCMFLIKMSN-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cnn(c1)Cc1ccccc1
Isomeric Smiles
c1cc(ccc1)Cn1ncc(c1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.065562
LogD (pH = 7.4)
2.0655632
Log P
2.0655632
Molar Refractivity
66.8987
Polarizability
20.383356
Polar Surface Area
63.64
Rotatable Bonds
3
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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