Molecule

ID:34849

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₃
Molecular Mass
191.18336
Exact Mass
191.05824315
Charge
0
InChI
InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)
InChIKey
DUUGKQCEGZLZNO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1c[nH]c2c1cc(O)cc2
Isomeric Smiles
c1(c2c([nH]c1)ccc(c2)O)CC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.62
LogD (pH = 5.5)
0.10
Log P
1.41
Rotatable Bonds
2
H Donor
3
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.22
Polar Surface Area
73.32
Polarizability
18.78
Molar Refractivity
50.43
LOG S
-1.50
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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