Molecule

ID:58840

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-3-14-11(13)8-12-10-7-5-4-6-9(10)2/h4-7,12H,3,8H2,1-2H3
InChIKey
CSKLSQYYZZRVJF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNc1ccccc1C
Isomeric Smiles
c1c(c(ccc1)C)NCC(=O)OCC
Calculated Properties
JChem
Acid pKa
16.339325
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9400047
LogD (pH = 7.4)
1.940129
Log P
1.9401307
Molar Refractivity
56.8953
Polarizability
21.361975
Polar Surface Area
38.33
Rotatable Bonds
5
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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