Molecule

ID:44685

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀N₂O
Molecular Mass
234.2527
Exact Mass
234.07931295
Charge
0
InChI
InChI=1S/C15H10N2O/c18-15-13-9-5-1-3-7-11(9)16-14(13)10-6-2-4-8-12(10)17-15/h1-8,16H,(H,17,18)
InChIKey
KHHVLPFHXHKOEJ-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]c2ccccc2c2c1c1ccccc1[nH]2
Isomeric Smiles
c12c([nH]c3c2cccc3)c2c([nH]c1=O)cccc2
Calculated Properties
JChem
Acid pKa
10.548402
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
2.7578697
LogD (pH = 7.4)
2.757592
Log P
2.7578733
Molar Refractivity
71.6337
Polarizability
28.889381
Polar Surface Area
44.89
Rotatable Bonds
0
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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