Molecule

ID:35906

General Information
Structure
MolImage
Molecular Formula
C₈H₆N₂O₄
Molecular Mass
194.14424
Exact Mass
194.03275668
Charge
0
InChI
InChI=1S/C8H6N2O4/c1-14-6-2-3-7(9-5-11)8(4-6)10(12)13/h2-4H,1H3
InChIKey
FSQHKLWMIIFYNP-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc(cc1[N+](=O)[O-])OC
Isomeric Smiles
[N+](=O)(c1cc(ccc1N=C=O)OC)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.6651144
LogD (pH = 7.4)
1.6651144
Log P
1.6651144
Molar Refractivity
48.9179
Polarizability
17.170488
Polar Surface Area
84.48
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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