Molecule

ID:17093

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O₂
Molecular Mass
218.25176
Exact Mass
218.1055277
Charge
0
InChI
InChI=1S/C12H14N2O2/c1-3-13-10-6-5-9(8-15)7-11(10)14(4-2)12(13)16/h5-8H,3-4H2,1-2H3
InChIKey
JZPXIWMYTZXPIF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)n(CC)c(=O)n2CC
Isomeric Smiles
c12c(n(c(=O)n1CC)CC)ccc(c2)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6615264
LogD (pH = 7.4)
1.6615264
Log P
1.6615264
Molar Refractivity
62.3078
Polarizability
23.024462
Polar Surface Area
40.62
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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