Molecule

ID:25656

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅NO₆
Molecular Mass
235.1498
Exact Mass
235.01168689
Charge
0
InChI
InChI=1S/C10H5NO6/c12-9(13)7-4-5-3-6(11(15)16)1-2-8(5)17-10(7)14/h1-4H,(H,12,13)
InChIKey
VZOCWMKJXRWWFI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]
Isomeric Smiles
c1(c(=O)oc2c(c1)cc(cc2)[N+](=O)[O-])C(=O)O
Calculated Properties
JChem
Acid pKa
2.2849138
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.7330776
LogD (pH = 7.4)
-2.2077518
Log P
1.3105869
Molar Refractivity
54.9476
Polarizability
20.142778
Polar Surface Area
109.42
Rotatable Bonds
2
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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