Molecule

ID:115181

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₃
Molecular Mass
282.29396
Exact Mass
282.10044232
Charge
0
InChI
InChI=1S/C16H14N2O3/c1-20-11-6-4-5-10(9-11)18-16(19)15-14(17)12-7-2-3-8-13(12)21-15/h2-9H,17H2,1H3,(H,18,19)
InChIKey
QJORDLUXWDXMPA-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)NC(=O)c1oc2c(c1N)cccc2
Isomeric Smiles
c1(c(c2c(o1)cccc2)N)C(=O)Nc1cc(OC)ccc1
Calculated Properties
JChem
Acid pKa
10.703857
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.8076553
LogD (pH = 7.4)
2.807453
Log P
2.807658
Molar Refractivity
81.4737
Polarizability
30.97752
Polar Surface Area
77.49
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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