Molecule

ID:119992

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇NO₅
Molecular Mass
233.17698
Exact Mass
233.03242233
Charge
0
InChI
InChI=1S/C11H7NO5/c13-10-5-1-8-9(17-4-16-8)2-7(5)12-3-6(10)11(14)15/h1-3H,4H2,(H,12,13)(H,14,15)
InChIKey
SNHCYVGJJIKKNG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnc2c(c1O)cc1c(c2)OCO1
Isomeric Smiles
c1(c(c2c(nc1)cc1c(c2)OCO1)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.776305
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-0.22283725
LogD (pH = 7.4)
-1.6127344
Log P
1.7581515
Molar Refractivity
54.9833
Polarizability
22.394745
Polar Surface Area
88.88
Rotatable Bonds
1
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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