Molecule

ID:115238

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇NO₄
Molecular Mass
229.18828
Exact Mass
229.03750771
Charge
0
InChI
InChI=1S/C12H7NO4/c14-12(15)8-6-11(17-13-8)10-5-7-3-1-2-4-9(7)16-10/h1-6H,(H,14,15)
InChIKey
AXRZCYGMDFWOCC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1noc(c1)c1cc2c(o1)cccc2
Isomeric Smiles
c1(cc(c2oc3c(c2)cccc3)on1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8981717
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.4201178
LogD (pH = 7.4)
-1.1869595
Log P
2.0275755
Molar Refractivity
58.1165
Polarizability
23.999083
Polar Surface Area
76.47
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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