Molecule

ID:16583

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₃
Molecular Mass
206.198
Exact Mass
206.06914219
Charge
0
InChI
InChI=1S/C10H10N2O3/c1-11-7-4-2-3-5-8(7)12(10(11)15)6-9(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKey
LAPYIDMXQINFIS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1c(=O)n(c2c1cccc2)C
Isomeric Smiles
c12n(c(=O)n(c1cccc2)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.699666
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.085738
LogD (pH = 7.4)
-2.5922165
Log P
0.7133915
Molar Refractivity
52.3112
Polarizability
19.861746
Polar Surface Area
60.85
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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