Molecule

ID:28433

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O
Molecular Mass
226.27376
Exact Mass
226.11061308
Charge
0
InChI
InChI=1S/C14H14N2O/c1-3-11(13-6-7-16-14(13)5-1)9-15-10-12-4-2-8-17-12/h1-8,15-16H,9-10H2
InChIKey
PECGYDAPOGQCMU-UHFFFAOYSA-N
Canonic Smiles
N(Cc1cccc2c1cc[nH]2)Cc1ccco1
Isomeric Smiles
c12c([nH]cc1)cccc2CNCc1occc1
Calculated Properties
JChem
Acid pKa
16.341255
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.093826324
LogD (pH = 7.4)
1.6403571
Log P
2.4150765
Molar Refractivity
67.396
Polarizability
27.24512
Polar Surface Area
40.96
Rotatable Bonds
4
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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