Molecule

ID:73644

General Information
Structure
Molecular Formula
C₂₀H₁₄N₂O₂
Molecular Mass
314.33736
Exact Mass
314.1055277
Charge
0
InChI
InChI=1S/C20H14N2O2/c23-20(24)18-13-19(22(21-18)15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h1-13H,(H,23,24)
InChIKey
ZDMTTWOBEHFYKZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(n(n1)c1ccccc1)c1cccc2c1cccc2
Isomeric Smiles
n1(c2ccccc2)c(cc(n1)C(=O)O)c1cccc2ccccc12
Calculated Properties
JChem
Acid pKa
3.156195
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3405297
LogD (pH = 7.4)
1.2063074
Log P
4.6592007
Molar Refractivity
92.7678
Polarizability
38.319977
Polar Surface Area
55.12
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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