Molecule

ID:101800

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₄
Molecular Mass
207.18276
Exact Mass
207.05315777
Charge
0
InChI
InChI=1S/C10H9NO4/c1-11-7-3-6(5-12)15-9(7)4-8(11)10(13)14-2/h3-5H,1-2H3
InChIKey
VUQKFEPTRLQDRG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc2c(n1C)cc(o2)C=O
Isomeric Smiles
c12c(cc(n1C)C(=O)OC)oc(c2)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0213121
LogD (pH = 7.4)
1.0213121
Log P
1.0213121
Molar Refractivity
52.7964
Polarizability
20.539236
Polar Surface Area
61.44
Rotatable Bonds
3
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
No Data Available
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Molecule Details
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References
Bioactivity
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