Molecule

ID:11246

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₄
Molecular Mass
224.21328
Exact Mass
224.07970687
Charge
0
InChI
InChI=1S/C10H12N2O4/c13-8-4-7(5-11-6-8)10(16)12-3-1-2-9(14)15/h4-6,13H,1-3H2,(H,12,16)(H,14,15)
InChIKey
SLNRADBTOAQAHM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCNC(=O)c1cncc(c1)O
Isomeric Smiles
c1(C(=O)NCCCC(=O)O)cc(cnc1)O
Calculated Properties
JChem
Acid pKa
2.8423502
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.466253
LogD (pH = 7.4)
-3.9362333
Log P
-1.3999133
Molar Refractivity
55.3961
Polarizability
20.879267
Polar Surface Area
99.52
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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