Molecule

ID:61277

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇NO₄
Molecular Mass
217.17758
Exact Mass
217.03750771
Charge
0
InChI
InChI=1S/C11H7NO4/c13-10-3-4-11(14)12(10)7-1-2-8-9(5-7)16-6-15-8/h1-5H,6H2
InChIKey
CGKPENZHIVRDPZ-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccc2c(c1)OCO2
Isomeric Smiles
N1(c2cc3c(OCO3)cc2)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.8689642
LogD (pH = 7.4)
0.868965
Log P
0.868965
Molar Refractivity
53.7926
Polarizability
20.525969
Polar Surface Area
55.84
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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