Molecule

ID:19065

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H3,11,12)
InChIKey
RVUXCWDICCCZHU-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)CC(=N)N
Isomeric Smiles
C(=N)(Cc1cc(c(cc1)OC)OC)N
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.8569032
LogD (pH = 7.4)
-1.8554535
Log P
0.5585371
Molar Refractivity
64.7083
Polarizability
20.909552
Polar Surface Area
68.33
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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