Molecule

ID:76673

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c1-3-14-10-5-8(7-12)9(13)6-11(10)15-4-2/h5-6H,3-4,13H2,1-2H3
InChIKey
RSBNAILPKCDZBJ-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C#N)c(cc1OCC)N
Isomeric Smiles
N#Cc1c(cc(c(c1)OCC)OCC)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3979337
LogD (pH = 7.4)
1.3986799
Log P
1.3986894
Molar Refractivity
58.9036
Polarizability
22.021955
Polar Surface Area
68.27
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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