Molecule

ID:22242

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-2-15-12(14)8-9-13-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKey
HCTJHQFFNDLDPF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCNCc1ccccc1
Isomeric Smiles
C(=O)(CCNCc1ccccc1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3151271
LogD (pH = 7.4)
0.1119333
Log P
1.7492927
Molar Refractivity
59.6077
Polarizability
23.666656
Polar Surface Area
38.33
Rotatable Bonds
7
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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