Molecule

ID:124193

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O
Molecular Mass
228.28964
Exact Mass
228.12626314
Charge
0
InChI
InChI=1S/C14H16N2O/c1-9-6-5-7-14(15-9)16-11(3)10(2)13(8-17)12(16)4/h5-8H,1-4H3
InChIKey
YBJFQRAXVZAZCK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)n(c(c1C)C)c1cccc(n1)C
Isomeric Smiles
n1(c(c(c(c1C)C)C=O)C)c1nc(ccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.213763
LogD (pH = 7.4)
2.2897394
Log P
2.2908
Molar Refractivity
80.4831
Polarizability
25.693598
Polar Surface Area
34.89
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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