Molecule

ID:89435

General Information
Structure
MolImage
Molecular Formula
C₇H₄N₂O₂
Molecular Mass
148.11886
Exact Mass
148.02727738
Charge
0
InChI
InChI=1S/C7H4N2O2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H
InChIKey
SWBDKCMOLSUXRH-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1[N+](=O)[O-]
Isomeric Smiles
N#Cc1c(cccc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7693262
LogD (pH = 7.4)
1.7693262
Log P
1.7693262
Molar Refractivity
38.1001
Polarizability
14.060369
Polar Surface Area
66.93
Rotatable Bonds
1
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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