Molecule

ID:10810

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃
Molecular Mass
203.19406
Exact Mass
203.05824315
Charge
0
InChI
InChI=1S/C11H9NO3/c1-6-4-9(11(14)15)8-5-7(13)2-3-10(8)12-6/h2-5,13H,1H3,(H,14,15)
InChIKey
ZMFWTUBNIJBJDB-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)c(cc(n2)C)C(=O)O
Isomeric Smiles
c1(c2c(nc(c1)C)ccc(c2)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7748094
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.29207313
LogD (pH = 7.4)
-1.7325597
Log P
1.2716368
Molar Refractivity
53.8079
Polarizability
21.635998
Polar Surface Area
70.42
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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