Molecule

ID:101035

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₃
Molecular Mass
193.19924
Exact Mass
193.07389322
Charge
0
InChI
InChI=1S/C10H11NO3/c1-6(12)9-4-3-8(5-10(9)14)11-7(2)13/h3-5,14H,1-2H3,(H,11,13)
InChIKey
ZSSHNMZQDWSUJJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(c(c1)O)C(=O)C
Isomeric Smiles
c1(c(cc(NC(=O)C)cc1)O)C(=O)C
Calculated Properties
JChem
Acid pKa
9.8319845
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1150184
LogD (pH = 7.4)
1.1134473
Log P
1.1150384
Molar Refractivity
53.3047
Polarizability
19.5729
Polar Surface Area
66.4
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
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Molecule Details
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References
Bioactivity
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