Molecule

ID:37902

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₄
Molecular Mass
219.19346
Exact Mass
219.05315777
Charge
0
InChI
InChI=1S/C11H9NO4/c1-15-11(14)9-6-10(16-12-9)7-2-4-8(13)5-3-7/h2-6,13H,1H3
InChIKey
AZJBPTJJWQRQPF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1noc(c1)c1ccc(cc1)O
Isomeric Smiles
c1(noc(c1)c1ccc(cc1)O)C(=O)OC
Calculated Properties
JChem
Acid pKa
9.172971
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.790688
LogD (pH = 7.4)
1.7835641
Log P
1.7907797
Molar Refractivity
56.1479
Polarizability
22.316656
Polar Surface Area
72.56
Rotatable Bonds
3
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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