Molecule

ID:53319

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₃
Molecular Mass
206.198
Exact Mass
206.06914219
Charge
0
InChI
InChI=1S/C10H10N2O3/c1-6(2)12-8-7(4-3-5-11-8)9(13)15-10(12)14/h3-6H,1-2H3
InChIKey
KYMGYRFOHRYYEY-UHFFFAOYSA-N
Canonic Smiles
CC(n1c(=O)oc(=O)c2c1nccc2)C
Isomeric Smiles
c1cnc2c(c1)c(=O)oc(=O)n2C(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.4903381
LogD (pH = 7.4)
1.4903423
Log P
1.4903424
Molar Refractivity
52.2662
Polarizability
19.91169
Polar Surface Area
59.5
Rotatable Bonds
1
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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