Molecule

ID:45285

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₂
Molecular Mass
179.21572
Exact Mass
179.09462866
Charge
0
InChI
InChI=1S/C10H13NO2/c1-3-13-10-7-5-4-6-9(10)8(2)11-12/h4-7,12H,3H2,1-2H3/b11-8-
InChIKey
QYIVCSSWIYAODR-FLIBITNWSA-N
Canonic Smiles
CCOc1ccccc1/C(=N\O)/C
Isomeric Smiles
c1(/C(=N\O)/C)c(OCC)cccc1
Calculated Properties
JChem
Acid pKa
8.063401
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.738161
LogD (pH = 7.4)
1.6545882
Log P
1.7395098
Molar Refractivity
51.4943
Polarizability
19.774641
Polar Surface Area
41.82
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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