Molecule

ID:40328

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₄
Molecular Mass
207.18276
Exact Mass
207.05315777
Charge
0
InChI
InChI=1S/C10H9NO4/c1-10(9(13)14)8(12)11-6-4-2-3-5-7(6)15-10/h2-5H,1H3,(H,11,12)(H,13,14)
InChIKey
HNDTULADLKGMDH-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2ccccc2OC1(C)C(=O)O
Isomeric Smiles
C1(C(=O)Nc2c(O1)cccc2)(C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.1111388
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.1786005
LogD (pH = 7.4)
-2.2781487
Log P
1.1816978
Molar Refractivity
51.5185
Polarizability
19.44471
Polar Surface Area
75.63
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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