Molecule

ID:33055

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₃
Molecular Mass
191.18336
Exact Mass
191.05824315
Charge
0
InChI
InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKey
YEBJVSLNUMZXRJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)cc([nH]2)C(=O)O
Isomeric Smiles
c1([nH]c2c(c1)cc(cc2)OC)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.85
LogD (pH = 5.5)
-0.40
Log P
1.49
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.60
Polar Surface Area
62.32
Polarizability
19.27
Molar Refractivity
50.74
LOG S
-2.69
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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