Molecule

ID:60143

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₄
Molecular Mass
207.18276
Exact Mass
207.05315777
Charge
0
InChI
InChI=1S/C10H9NO4/c1-14-5-3-6-8(7(4-5)15-2)9(12)10(13)11-6/h3-4H,1-2H3,(H,11,12,13)
InChIKey
FAMGTYWNHVETJC-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)c2c(c1)NC(=O)C2=O
Isomeric Smiles
C1(=O)C(=O)c2c(N1)cc(cc2OC)OC
Calculated Properties
JChem
Acid pKa
8.649669
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2859088
LogD (pH = 7.4)
1.2636392
Log P
1.286201
Molar Refractivity
53.4014
Polarizability
19.645302
Polar Surface Area
64.63
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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