Molecule

ID:77240

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃
Molecular Mass
203.19406
Exact Mass
203.05824315
Charge
0
InChI
InChI=1S/C11H9NO3/c1-14-11(13)9-4-2-3-8(5-9)10-6-12-7-15-10/h2-7H,1H3
InChIKey
JKKAJBRBOVEEGT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)c1ocnc1
Isomeric Smiles
n1coc(c1)c1cccc(c1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.485835
LogD (pH = 7.4)
1.4858406
Log P
1.4858407
Molar Refractivity
53.8064
Polarizability
21.67892
Polar Surface Area
52.33
Rotatable Bonds
3
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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