Molecule

ID:78236

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅N₃O₂
Molecular Mass
199.1656
Exact Mass
199.03817642
Charge
0
InChI
InChI=1S/C10H5N3O2/c11-6-8(7-12)5-9-3-1-2-4-10(9)13(14)15/h1-5H
InChIKey
QGESGQINLPXOJL-UHFFFAOYSA-N
Canonic Smiles
N#CC(=Cc1ccccc1[N+](=O)[O-])C#N
Isomeric Smiles
N#CC(=Cc1ccccc1[N+](=O)[O-])C#N
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.1125445
LogD (pH = 7.4)
2.1125445
Log P
2.1125445
Molar Refractivity
54.4175
Polarizability
19.110497
Polar Surface Area
93.4
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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