Molecule

ID:73645

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)17-8-2-1-3-9-17)16-11-10-14-6-4-5-7-15(14)12-16/h1-13H,(H,23,24)
InChIKey
FPCDSWNFZGRAOI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(n(n1)c1ccccc1)c1ccc2c(c1)cccc2
Isomeric Smiles
n1c(cc(n1c1ccccc1)c1cc2ccccc2cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1566594
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3409214
LogD (pH = 7.4)
1.2063752
Log P
4.6592007
Molar Refractivity
92.7678
Polarizability
38.317028
Polar Surface Area
55.12
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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