Molecule

ID:22225

General Information
Structure
MolImage
Molecular Formula
C₆H₆N₂O₂
Molecular Mass
138.12404
Exact Mass
138.04292744
Charge
0
InChI
InChI=1S/C6H6N2O2/c1-5-2-3-7-4-6(5)8(9)10/h2-4H,1H3
InChIKey
JLNRJMGYBKMDGI-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cnccc1C
Isomeric Smiles
[N+](=O)(c1c(ccnc1)C)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2089516
LogD (pH = 7.4)
1.2089787
Log P
1.208979
Molar Refractivity
35.2628
Polarizability
13.106691
Polar Surface Area
56.03
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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