Molecule

ID:12915

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₃
Molecular Mass
282.29396
Exact Mass
282.10044232
Charge
0
InChI
InChI=1S/C16H14N2O3/c1-20-14-9-11(17)6-7-12(14)18-16(19)15-8-10-4-2-3-5-13(10)21-15/h2-9H,17H2,1H3,(H,18,19)
InChIKey
KONPKGRNCLCEDI-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)ccc1NC(=O)c1cc2c(o1)cccc2
Isomeric Smiles
c1cc2c(cc1)cc(o2)C(=O)Nc1c(cc(cc1)N)OC
Calculated Properties
JChem
Acid pKa
10.2232895
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.15393
LogD (pH = 7.4)
2.15699
Log P
2.1576579
Molar Refractivity
81.4737
Polarizability
30.981274
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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