Molecule

ID:14539

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O
Molecular Mass
214.26306
Exact Mass
214.11061308
Charge
0
InChI
InChI=1S/C13H14N2O/c1-10-13(9-16)11(2)15(14-10)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
InChIKey
KQZFABYWVRTOFK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)nn(c1C)Cc1ccccc1
Isomeric Smiles
c1(c(nn(c1C)Cc1ccccc1)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1683998
LogD (pH = 7.4)
2.1690052
Log P
2.1690128
Molar Refractivity
75.8992
Polarizability
23.914171
Polar Surface Area
34.89
Rotatable Bonds
3
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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