Molecule

ID:122008

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₄
Molecular Mass
234.2081
Exact Mass
234.06405681
Charge
0
InChI
InChI=1S/C11H10N2O4/c1-6(10(15)16)13-9(14)7-4-2-3-5-8(7)12-11(13)17/h2-6H,1H3,(H,12,17)(H,15,16)/t6-/m0/s1
InChIKey
YJYPPYZFHRALHS-LURJTMIESA-N
Canonic Smiles
OC(=O)[C@@H](n1c(=O)[nH]c2c(c1=O)cccc2)C
Isomeric Smiles
n1(c(=O)[nH]c2c(c1=O)cccc2)[C@H](C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.2401402
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.57213163
LogD (pH = 7.4)
-1.7707759
Log P
1.6673712
Molar Refractivity
59.2513
Polarizability
21.636925
Polar Surface Area
86.71
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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