Molecule

ID:92726

General Information
Structure
MolImage
Molecular Formula
C₆H₆N₂O₂
Molecular Mass
138.12404
Exact Mass
138.04292744
Charge
0
InChI
InChI=1S/C6H6N2O2/c1-5-4-6(8(9)10)2-3-7-5/h2-4H,1H3
InChIKey
HWPIDHRDNNZJSY-UHFFFAOYSA-N
Canonic Smiles
Cc1nccc(c1)[N+](=O)[O-]
Isomeric Smiles
n1c(cc(cc1)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8268461
LogD (pH = 7.4)
0.8269267
Log P
0.8269277
Molar Refractivity
34.8131
Polarizability
13.107228
Polar Surface Area
56.03
Rotatable Bonds
1
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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