Molecule

ID:10195

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₆
Molecular Mass
237.16568
Exact Mass
237.02733695
Charge
0
InChI
InChI=1S/C10H7NO6/c12-4-6(5-13)7-2-1-3-8(10(14)15)9(7)11(16)17/h1-6H,(H,14,15)
InChIKey
WHFZKCYOFGVOLR-UHFFFAOYSA-N
Canonic Smiles
O=CC(c1cccc(c1[N+](=O)[O-])C(=O)O)C=O
Isomeric Smiles
c1cc(c(c(c1)C(C=O)C=O)[N+](=O)[O-])C(=O)O
Calculated Properties
JChem
Acid pKa
-1.5215763
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-5.348183
LogD (pH = 7.4)
-6.0972986
Log P
0.62600756
Molar Refractivity
56.3874
Polarizability
20.425463
Polar Surface Area
117.26
Rotatable Bonds
5
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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