Molecule

ID:10849

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃
Molecular Mass
203.19406
Exact Mass
203.05824315
Charge
0
InChI
InChI=1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKey
PENHKTNQUJMHIR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(C)onc1c1ccccc1
Isomeric Smiles
c1(c(noc1C)c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9216514
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.64313424
LogD (pH = 7.4)
-0.97428304
Log P
2.2280111
Molar Refractivity
54.6701
Polarizability
21.361265
Polar Surface Area
63.33
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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