Molecule

ID:23388

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄N₂O
Molecular Mass
262.30586
Exact Mass
262.11061308
Charge
0
InChI
InChI=1S/C17H14N2O/c18-14-10-8-13(9-11-14)17(20)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,18H2,(H,19,20)
InChIKey
PDCRUJGQDJKQDP-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)Nc1cccc2c1cccc2
Isomeric Smiles
C(=O)(Nc1c2c(ccc1)cccc2)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
12.161299
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.2245586
LogD (pH = 7.4)
3.22566
Log P
3.2256815
Molar Refractivity
82.7421
Polarizability
31.656862
Polar Surface Area
55.12
Rotatable Bonds
2
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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