Molecule

ID:30259

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₄
Molecular Mass
209.19864
Exact Mass
209.06880784
Charge
0
InChI
InChI=1S/C10H11NO4/c11-10(14)7-3-1-2-4-8(7)15-6-5-9(12)13/h1-4H,5-6H2,(H2,11,14)(H,12,13)
InChIKey
JDAPGIQXOMTIQY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCOc1ccccc1C(=O)N
Isomeric Smiles
c1(C(=O)N)c(OCCC(=O)O)cccc1
Calculated Properties
JChem
Acid pKa
3.783574
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.3368536
LogD (pH = 7.4)
-2.8886392
Log P
0.3812109
Molar Refractivity
52.3836
Polarizability
19.960295
Polar Surface Area
89.62
Rotatable Bonds
5
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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