Molecule

ID:22397

General Information
Structure
Molecular Formula
C₁₉H₁₂N₂O
Molecular Mass
284.31138
Exact Mass
284.09496301
Charge
0
InChI
InChI=1S/C19H12N2O/c22-10-14-18-12-6-2-4-8-16(12)20-17(18)9-13-11-5-1-3-7-15(11)21-19(13)14/h1-10,20-21H
InChIKey
ZUDXFBWDXVNRKF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c2[nH]c3c(c2cc2c1c1ccccc1[nH]2)cccc3
Isomeric Smiles
c1ccc2c(c1)c1c([nH]2)cc2c(c1C=O)[nH]c1c2cccc1
Calculated Properties
JChem
Acid pKa
13.507503
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.921028
LogD (pH = 7.4)
3.9210277
Log P
3.921028
Molar Refractivity
87.4704
Polarizability
38.032215
Polar Surface Area
48.65
Rotatable Bonds
1
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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