Molecule

ID:51183

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₄
Molecular Mass
223.22522
Exact Mass
223.0844579
Charge
0
InChI
InChI=1S/C11H13NO4/c1-12(2)10(13)7-16-9-6-4-3-5-8(9)11(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKey
SRYMWAUZDOJACZ-UHFFFAOYSA-N
Canonic Smiles
O=C(N(C)C)COc1ccccc1C(=O)O
Isomeric Smiles
c1(C(=O)O)c(OCC(=O)N(C)C)cccc1
Calculated Properties
JChem
Acid pKa
3.70253
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.2048126
LogD (pH = 7.4)
-2.7129023
Log P
0.5915503
Molar Refractivity
57.4776
Polarizability
21.964767
Polar Surface Area
66.84
Rotatable Bonds
4
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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