Molecule

ID:24316

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-3-8-14-11-6-4-10(5-7-11)9(2)12-13/h4-7,13H,3,8H2,1-2H3/b12-9-
InChIKey
YKWQJIJVMOLTFK-XFXZXTDPSA-N
Canonic Smiles
CCCOc1ccc(cc1)/C(=N\O)/C
Isomeric Smiles
C(=N\O)(\c1ccc(cc1)OCCC)/C
Calculated Properties
JChem
Acid pKa
8.942854
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2610843
LogD (pH = 7.4)
2.2497087
Log P
2.2620323
Molar Refractivity
56.0183
Polarizability
21.613985
Polar Surface Area
41.82
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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