Molecule

ID:56037

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O
Molecular Mass
226.27376
Exact Mass
226.11061308
Charge
0
InChI
InChI=1S/C14H14N2O/c1-16(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)15/h2-10H,15H2,1H3
InChIKey
PAAMPFHGRZZYDQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1C(=O)N(c1ccccc1)C
Isomeric Smiles
C(=O)(c1c(N)cccc1)N(c1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7499533
LogD (pH = 7.4)
2.7502668
Log P
2.7502708
Molar Refractivity
69.4078
Polarizability
25.928696
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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