Molecule

ID:116021

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c1-7-12-11(16-13-7)10-6-14-8-4-2-3-5-9(8)15-10/h2-5,10H,6H2,1H3
InChIKey
LYFPXYFMATWGIF-UHFFFAOYSA-N
Canonic Smiles
Cc1noc(n1)C1COc2c(O1)cccc2
Isomeric Smiles
c1(nc(no1)C)C1Oc2c(OC1)cccc2
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8068811
LogD (pH = 7.4)
1.8068811
Log P
1.8068811
Molar Refractivity
55.9408
Polarizability
21.159487
Polar Surface Area
57.38
Rotatable Bonds
1
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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