Molecule

ID:40570

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₄
Molecular Mass
223.22522
Exact Mass
223.0844579
Charge
0
InChI
InChI=1S/C11H13NO4/c1-16-11(15)8-4-2-7(3-5-8)9(12)6-10(13)14/h2-5,9H,6,12H2,1H3,(H,13,14)
InChIKey
MQDNHGACHBBMQD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)C(CC(=O)O)N
Isomeric Smiles
C(C(=O)O)C(c1ccc(C(=O)OC)cc1)N
Calculated Properties
JChem
Acid pKa
3.096468
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.3867359
LogD (pH = 7.4)
-1.3874048
Log P
-1.3858224
Molar Refractivity
57.0109
Polarizability
22.346218
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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