Molecule

ID:16534

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃
Molecular Mass
203.19406
Exact Mass
203.05824315
Charge
0
InChI
InChI=1S/C11H9NO3/c1-15-10-6-8(11(13)14)7-4-2-3-5-9(7)12-10/h2-6H,1H3,(H,13,14)
InChIKey
ZMHKFJMROFPASK-UHFFFAOYSA-N
Canonic Smiles
COc1nc2ccccc2c(c1)C(=O)O
Isomeric Smiles
c12c(cc(nc1cccc2)OC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5380418
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.26975498
LogD (pH = 7.4)
-1.1385461
Log P
2.2252696
Molar Refractivity
54.0122
Polarizability
21.789684
Polar Surface Area
59.42
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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