Molecule

ID:52423

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO₂
Molecular Mass
165.18914
Exact Mass
165.0789786
Charge
0
InChI
InChI=1S/C9H11NO2/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
InChIKey
AZEIRPAUJXANCS-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)C(=O)N
Isomeric Smiles
C(=O)(c1ccc(cc1)OCC)N
Calculated Properties
JChem
Acid pKa
14.619875
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0230227
LogD (pH = 7.4)
1.0230228
Log P
1.0230228
Molar Refractivity
46.3482
Polarizability
17.521227
Polar Surface Area
52.32
Rotatable Bonds
3
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
References
Bioactivity
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