Molecule

ID:16048

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃
Molecular Mass
203.19406
Exact Mass
203.05824315
Charge
0
InChI
InChI=1S/C11H9NO3/c1-12-6-8(11(14)15)10(13)7-4-2-3-5-9(7)12/h2-6H,1H3,(H,14,15)
InChIKey
WBHKMAPRABNYBR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cn(C)c2c(c1=O)cccc2
Isomeric Smiles
c1(c(=O)c2c(n(c1)C)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
6.0965276
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2751125
LogD (pH = 7.4)
0.0511308
Log P
1.3731054
Molar Refractivity
55.3278
Polarizability
20.289944
Polar Surface Area
57.61
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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