Molecule

ID:43044

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₃
Molecular Mass
220.22458
Exact Mass
220.08479225
Charge
0
InChI
InChI=1S/C11H12N2O3/c1-14-8-3-7(4-9(5-8)15-2)10-6-11(12)16-13-10/h3-6H,12H2,1-2H3
InChIKey
BDIHALGDOAGACB-UHFFFAOYSA-N
Canonic Smiles
COc1cc(cc(c1)OC)c1noc(c1)N
Isomeric Smiles
c1c(noc1N)c1cc(cc(c1)OC)OC
Calculated Properties
JChem
Acid pKa
15.759957
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3158151
LogD (pH = 7.4)
1.3158885
Log P
1.3158895
Molar Refractivity
59.1443
Polarizability
23.433537
Polar Surface Area
70.51
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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