Molecule

ID:70545

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₆N₂O₂
Molecular Mass
340.37464
Exact Mass
340.12117776
Charge
0
InChI
InChI=1S/C22H16N2O2/c1-11-3-5-17-13(7-11)21(25)15-9-20-16(10-19(15)23-17)22(26)14-8-12(2)4-6-18(14)24-20/h3-10H,1-2H3,(H,23,25)(H,24,26)
InChIKey
TXWSZJSDZKWQAU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(=O)c1c([nH]2)cc2c(c1)[nH]c1c(c2=O)cc(cc1)C
Isomeric Smiles
c1c2c(cc3[nH]c4ccc(cc4c(=O)c13)C)c(=O)c1cc(ccc1[nH]2)C
Calculated Properties
JChem
Acid pKa
17.498148
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
7.4521537
LogD (pH = 7.4)
7.4521546
Log P
7.4521546
Molar Refractivity
102.1478
Polarizability
37.97484
Polar Surface Area
58.2
Rotatable Bonds
0
Lipinski's Rule of Five
false
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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