Molecule

ID:38083

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₃
Molecular Mass
193.19924
Exact Mass
193.07389322
Charge
0
InChI
InChI=1S/C10H11NO3/c1-2-9(12)11-8-5-3-7(4-6-8)10(13)14/h3-6H,2H2,1H3,(H,11,12)(H,13,14)
InChIKey
TVJHNMWPMJPEFT-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)Nc1ccc(cc1)C(=O)O
Isomeric Smiles
C(=O)(c1ccc(NC(=O)CC)cc1)O
Calculated Properties
JChem
Acid pKa
4.160568
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.21300223
LogD (pH = 7.4)
-1.49082
Log P
1.569075
Molar Refractivity
52.8041
Polarizability
19.40357
Polar Surface Area
66.4
Rotatable Bonds
3
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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