Molecule

ID:35793

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃
Molecular Mass
203.19406
Exact Mass
203.05824315
Charge
0
InChI
InChI=1S/C11H9NO3/c1-6-2-3-7-5-8(11(14)15)10(13)12-9(7)4-6/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKey
UXAQYUDMBYSMOP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)nc(c(c2)C(=O)O)O
Isomeric Smiles
c1(c(nc2c(c1)ccc(c2)C)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.500519
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.247387
LogD (pH = 7.4)
-0.13373467
Log P
3.242797
Molar Refractivity
54.5711
Polarizability
21.637634
Polar Surface Area
70.42
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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