Molecule

ID:30633

General Information
Structure
Molecular Formula
C₁₆H₁₄N₂O₂
Molecular Mass
266.29456
Exact Mass
266.1055277
Charge
0
InChI
InChI=1S/C16H14N2O2/c19-16(20)9-13(11-5-7-17-8-6-11)14-10-18-15-4-2-1-3-12(14)15/h1-8,10,13,18H,9H2,(H,19,20)
InChIKey
UAXLGHAFKLPXEL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(c1c[nH]c2c1cccc2)c1ccncc1
Isomeric Smiles
c1(c[nH]c2c1cccc2)C(CC(=O)O)c1ccncc1
Calculated Properties
JChem
Acid pKa
4.2592597
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1681342
LogD (pH = 7.4)
-0.48907658
Log P
1.4432137
Molar Refractivity
75.5398
Polarizability
30.266527
Polar Surface Area
65.98
Rotatable Bonds
4
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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