Molecule

ID:72265

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c1-7(13)6-12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5,7,13H,6H2,1H3
InChIKey
XCQKPHDATCXMAA-UHFFFAOYSA-N
Canonic Smiles
CC(CN1C(=O)c2c(C1=O)cccc2)O
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CC(O)C
Calculated Properties
JChem
Acid pKa
15.247873
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6435721
LogD (pH = 7.4)
0.6435721
Log P
0.6435721
Molar Refractivity
54.9226
Polarizability
20.314253
Polar Surface Area
57.61
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
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References
Bioactivity
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