Molecule

ID:18794

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₄
Molecular Mass
234.2081
Exact Mass
234.06405681
Charge
0
InChI
InChI=1S/C11H10N2O4/c14-9(15)5-6-13-8-4-2-1-3-7(8)10(16)12-11(13)17/h1-4H,5-6H2,(H,14,15)(H,12,16,17)
InChIKey
JVMIILRABUCELC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCn1c(=O)[nH]c(=O)c2c1cccc2
Isomeric Smiles
[nH]1c(=O)n(c2c(c1=O)cccc2)CCC(=O)O
Calculated Properties
JChem
Acid pKa
3.6994061
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.4734027
LogD (pH = 7.4)
-2.9822662
Log P
0.3260097
Molar Refractivity
57.676
Polarizability
21.6365
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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