Molecule

ID:87161

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉NaO₃
Molecular Mass
224.18783
Exact Mass
224.04493843
Charge
0
InChI
InChI=1S/C12H10O3.Na/c13-11(12(14)15)9-5-4-8-10-6-2-1-3-7-10;/h1-9H,(H,14,15);/q;+1/p-1
InChIKey
IPRYECFRTHOFDG-UHFFFAOYSA-M
Canonic Smiles
[Na]OC(=O)C(=O)/C=C/C=C/c1ccccc1
Isomeric Smiles
O=C(C(=O)/C=C/C=C/c1ccccc1)O[Na]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4188
LogD (pH = 7.4)
4.4188
Log P
4.4188
Molar Refractivity
57.7969
Polarizability
23.450806
Polar Surface Area
43.37
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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