Molecule

ID:119413

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₃
Molecular Mass
220.22458
Exact Mass
220.08479225
Charge
0
InChI
InChI=1S/C11H12N2O3/c1-15-7-5-3-4-6-8(7)9(12)10(13-6)11(14)16-2/h3-5,13H,12H2,1-2H3
InChIKey
CDXFCVVUIBFQQB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1[nH]c2c(c1N)c(OC)ccc2
Isomeric Smiles
c1(c(c2c([nH]1)cccc2OC)N)C(=O)OC
Calculated Properties
JChem
Acid pKa
14.494827
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.6588887
LogD (pH = 7.4)
1.6588887
Log P
1.6588887
Molar Refractivity
60.2109
Polarizability
23.619576
Polar Surface Area
77.34
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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