Molecule

ID:70786

General Information
Structure
Molecular Formula
C₁₆H₁₄N₂O₂
Molecular Mass
266.29456
Exact Mass
266.1055277
Charge
0
InChI
InChI=1S/C16H14N2O2/c1-2-20-16(19)14-11-18-10-13(8-9-15(18)17-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKey
ZLILXYOUBSCYRW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc2n(c1)cc(cc2)c1ccccc1
Isomeric Smiles
c12ccc(cn1cc(n2)C(=O)OCC)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9396048
LogD (pH = 7.4)
2.9527397
Log P
2.95291
Molar Refractivity
77.4745
Polarizability
30.520779
Polar Surface Area
43.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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