Molecule

ID:53400

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₄
Molecular Mass
209.19864
Exact Mass
209.06880784
Charge
0
InChI
InChI=1S/C10H11NO4/c11-7-3-1-6(2-4-7)8(10(14)15)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)(H,14,15)
InChIKey
RZHXTNAFUFBEQB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccc(cc1)N)CC(=O)O
Isomeric Smiles
C(=O)(C(CC(=O)O)c1ccc(N)cc1)O
Calculated Properties
JChem
Acid pKa
3.2796612
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.293989
LogD (pH = 7.4)
-4.2251277
Log P
-0.48600495
Molar Refractivity
52.9069
Polarizability
19.941597
Polar Surface Area
100.62
Rotatable Bonds
4
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
References
Bioactivity
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