Molecule

ID:53041

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₄
Molecular Mass
238.23986
Exact Mass
238.09535694
Charge
0
InChI
InChI=1S/C11H14N2O4/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKey
FOXRXVSTFGNURG-VIFPVBQESA-N
Canonic Smiles
NC[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Isomeric Smiles
NC[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
3.1277213
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.8339537
LogD (pH = 7.4)
-1.8378004
Log P
-1.8330592
Molar Refractivity
59.3785
Polarizability
23.530632
Polar Surface Area
101.65
Rotatable Bonds
6
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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