Molecule

ID:24318

General Information
Structure
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-3-11(12-13)9-5-7-10(8-6-9)14-4-2/h5-8,13H,3-4H2,1-2H3/b12-11+
InChIKey
QTKPGQSCJWTLEU-VAWYXSNFSA-N
Canonic Smiles
CCOc1ccc(cc1)/C(=N/O)/CC
Isomeric Smiles
C(=N\O)(/c1ccc(cc1)OCC)\CC
Calculated Properties
JChem
Acid pKa
8.953149
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.439285
LogD (pH = 7.4)
2.4281042
Log P
2.4400456
Molar Refractivity
56.1212
Polarizability
21.613834
Polar Surface Area
41.82
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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