Molecule

ID:59894

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₄
Molecular Mass
234.2081
Exact Mass
234.06405681
Charge
0
InChI
InChI=1S/C11H10N2O4/c14-9(15)5-8-11(17)12-7-4-2-1-3-6(7)10(16)13-8/h1-4,8H,5H2,(H,12,17)(H,13,16)(H,14,15)/t8-/m1/s1
InChIKey
PZADUWCGARVTQN-MRVPVSSYSA-N
Canonic Smiles
OC(=O)C[C@H]1NC(=O)c2c(NC1=O)cccc2
Isomeric Smiles
C1(=O)N[C@@H](C(=O)Nc2c1cccc2)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.7163856
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.2194242
LogD (pH = 7.4)
-2.7352538
Log P
0.56355387
Molar Refractivity
58.8663
Polarizability
21.638916
Polar Surface Area
95.5
Rotatable Bonds
2
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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