Molecule

ID:115436

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₂
Molecular Mass
240.25728
Exact Mass
240.08987763
Charge
0
InChI
InChI=1S/C14H12N2O2/c1-2-18-14(17)12-8-10-7-9-5-3-4-6-11(9)15-13(10)16-12/h3-8H,2H2,1H3,(H,15,16)
InChIKey
MVYFBDMUJHTBHC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2c([nH]1)nc1c(c2)cccc1
Isomeric Smiles
c12[nH]c(cc2cc2c(n1)cccc2)C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.742544
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.77204
LogD (pH = 7.4)
2.8755023
Log P
2.8774107
Molar Refractivity
67.6698
Polarizability
27.77774
Polar Surface Area
54.98
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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