Molecule

ID:12730

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O
Molecular Mass
238.28446
Exact Mass
238.11061308
Charge
0
InChI
InChI=1S/C15H14N2O/c1-8-4-5-12-11(6-8)14(18)13-9(2)7-10(3)16-15(13)17-12/h4-7H,1-3H3,(H,16,17,18)
InChIKey
NHPAURBKWZQCDB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(=O)c1c([nH]2)nc(cc1C)C
Isomeric Smiles
c1c(nc2c(c1C)c(=O)c1c([nH]2)ccc(c1)C)C
Calculated Properties
JChem
Acid pKa
13.868536
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.175616
LogD (pH = 7.4)
4.7197723
Log P
4.734277
Molar Refractivity
71.8922
Polarizability
26.782787
Polar Surface Area
41.99
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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