Molecule

ID:11410

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₄
Molecular Mass
234.2081
Exact Mass
234.06405681
Charge
0
InChI
InChI=1S/C11H10N2O4/c14-9(15)6-8-10(16)13(11(17)12-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,17)(H,14,15)
InChIKey
YITSTEXIMAEZDR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1NC(=O)N(C1=O)c1ccccc1
Isomeric Smiles
N1(C(=O)NC(C1=O)CC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.8761551
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.27032
LogD (pH = 7.4)
-2.8673813
Log P
0.35836637
Molar Refractivity
56.2497
Polarizability
21.835135
Polar Surface Area
86.71
Rotatable Bonds
3
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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