Molecule

ID:23366

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O
Molecular Mass
226.27376
Exact Mass
226.11061308
Charge
0
InChI
InChI=1S/C14H14N2O/c1-16(13-8-3-2-4-9-13)14(17)11-6-5-7-12(15)10-11/h2-10H,15H2,1H3
InChIKey
PKOVFFWYXWEFSN-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(=O)N(c1ccccc1)C
Isomeric Smiles
C(=O)(N(c1ccccc1)C)c1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.098451
LogD (pH = 7.4)
2.1002479
Log P
2.1002707
Molar Refractivity
69.4078
Polarizability
25.927572
Polar Surface Area
46.33
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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