Molecule

ID:76808

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₄O₄
Molecular Mass
262.2215
Exact Mass
262.07020482
Charge
0
InChI
InChI=1S/C11H10N4O4/c1-19-9-5-3-2-4-7(9)13-11(16)10-8(15(17)18)6-12-14-10/h2-6H,1H3,(H,12,14)(H,13,16)
InChIKey
HSJZABGEHGMJRY-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1NC(=O)c1[nH]ncc1[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c(C(=O)Nc2c(cccc2)OC)[nH]nc1)[O-]
Calculated Properties
JChem
Acid pKa
5.942685
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.941634
LogD (pH = 7.4)
-0.16993456
Log P
1.0716287
Molar Refractivity
68.9443
Polarizability
24.28133
Polar Surface Area
112.83
Rotatable Bonds
4
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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