Molecule

ID:12897

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₂
Molecular Mass
240.25728
Exact Mass
240.08987763
Charge
0
InChI
InChI=1S/C14H12N2O2/c1-8-2-5-13-11(6-8)16-14(18-13)10-4-3-9(15)7-12(10)17/h2-7,17H,15H2,1H3
InChIKey
VZNHSHBMAPCZGQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)O)c1nc2c(o1)ccc(c2)C
Isomeric Smiles
c12c(oc(n1)c1c(cc(cc1)N)O)ccc(c2)C
Calculated Properties
JChem
Acid pKa
8.1937685
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.7241929
LogD (pH = 7.4)
2.6613078
Log P
2.7255657
Molar Refractivity
79.5472
Polarizability
27.62872
Polar Surface Area
72.28
Rotatable Bonds
1
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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