Molecule

ID:14894

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇NO₅
Molecular Mass
233.17698
Exact Mass
233.03242233
Charge
0
InChI
InChI=1S/C11H7NO5/c13-11(14)7-4-9(17-12-7)6-1-2-8-10(3-6)16-5-15-8/h1-4H,5H2,(H,13,14)
InChIKey
QJHNOWCMLRIBJY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1noc(c1)c1ccc2c(c1)OCO2
Isomeric Smiles
c1(c2cc(no2)C(=O)O)cc2c(cc1)OCO2
Calculated Properties
JChem
Acid pKa
3.9058743
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.028349929
LogD (pH = 7.4)
-1.6388624
Log P
1.5716844
Molar Refractivity
55.1648
Polarizability
22.140106
Polar Surface Area
81.79
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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