Molecule

ID:126051

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁NO₂
Molecular Mass
223.31134
Exact Mass
223.15722892
Charge
0
InChI
InChI=1S/C13H21NO2/c1-9-6-13(16-5)11(7-10(2)14-3)8-12(9)15-4/h6,8,10,14H,7H2,1-5H3
InChIKey
IWYGVDBZCSCJGT-UHFFFAOYSA-N
Canonic Smiles
CNC(Cc1cc(OC)c(cc1OC)C)C
Isomeric Smiles
O(c1cc(c(OC)cc1CC(NC)C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.78484064
LogD (pH = 7.4)
-0.0936384
Log P
2.4349098
Molar Refractivity
66.4474
Polarizability
25.946026
Polar Surface Area
30.49
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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