Molecule

ID:33077

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₄
Molecular Mass
219.19346
Exact Mass
219.05315777
Charge
0
InChI
InChI=1S/C11H9NO4/c13-9(14)5-6-12-10(15)7-3-1-2-4-8(7)11(12)16/h1-4H,5-6H2,(H,13,14)
InChIKey
DXXHRZUOTPMGEH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CCC(=O)O
Calculated Properties
JChem
Acid pKa
3.5406096
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.3205054
LogD (pH = 7.4)
-2.7307603
Log P
0.63209516
Molar Refractivity
54.9955
Polarizability
20.280941
Polar Surface Area
74.68
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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