Molecule

ID:119948

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c1-16-8-4-2-3-6-9(12)7(11(14)15)5-13-10(6)8/h2-5H,1H3,(H2,12,13)(H,14,15)
InChIKey
UQCXQCSUKAOKBP-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1ncc(c2N)C(=O)O
Isomeric Smiles
c1(c(c2c(nc1)c(OC)ccc2)N)C(=O)O
Calculated Properties
JChem
Acid pKa
2.94046
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.03871194
LogD (pH = 7.4)
-0.88079464
Log P
-0.013442024
Molar Refractivity
58.3991
Polarizability
22.927977
Polar Surface Area
85.44
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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