Molecule

ID:53076

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-2-14-10(13)8-7-11-12-6-4-3-5-9(8)12/h7H,2-6H2,1H3
InChIKey
UYYNSVHJHJUZRY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn2c1CCCC2
Isomeric Smiles
C1Cn2c(CC1)c(cn2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4544849
LogD (pH = 7.4)
1.45451
Log P
1.4545103
Molar Refractivity
64.2784
Polarizability
19.912151
Polar Surface Area
44.12
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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