Molecule

ID:61286

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₄
Molecular Mass
233.22004
Exact Mass
233.06880784
Charge
0
InChI
InChI=1S/C12H11NO4/c1-16-8-3-4-9(10(7-8)17-2)13-11(14)5-6-12(13)15/h3-7H,1-2H3
InChIKey
FZOPHURHMRGGIY-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)ccc1N1C(=O)C=CC1=O
Isomeric Smiles
N1(c2c(cc(cc2)OC)OC)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.93038833
LogD (pH = 7.4)
0.93038905
Log P
0.93038905
Molar Refractivity
60.9521
Polarizability
23.068459
Polar Surface Area
55.84
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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