Molecule

ID:101694

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₄
Molecular Mass
207.18276
Exact Mass
207.05315777
Charge
0
InChI
InChI=1S/C10H9NO4/c1-14-10(13)6-3-2-4-7-9(6)15-5-8(12)11-7/h2-4H,5H2,1H3,(H,11,12)
InChIKey
NIWLJRLGYZNNLM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc2c1OCC(=O)N2
Isomeric Smiles
c1(c2OCC(=O)Nc2ccc1)C(=O)OC
Calculated Properties
JChem
Acid pKa
11.460327
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.75809044
LogD (pH = 7.4)
0.758055
Log P
0.7580909
Molar Refractivity
52.8504
Polarizability
19.658167
Polar Surface Area
64.63
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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