Molecule

ID:66630

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇N₃O₃
Molecular Mass
217.18088
Exact Mass
217.0487411
Charge
0
InChI
InChI=1S/C10H7N3O3/c14-13(15)8-2-4-9(5-3-8)16-10-11-6-1-7-12-10/h1-7H
InChIKey
VLNVCMOMPHXWLG-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)Oc1ncccn1
Isomeric Smiles
c1(ncccn1)Oc1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.1687915
LogD (pH = 7.4)
2.1687927
Log P
2.168793
Molar Refractivity
55.2296
Polarizability
20.789062
Polar Surface Area
78.15
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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