Molecule

ID:128793

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO₂
Molecular Mass
235.32204
Exact Mass
235.15722892
Charge
0
InChI
InChI=1S/C14H21NO2/c1-4-5-6-11-17-14(16)12-7-9-13(10-8-12)15(2)3/h7-10H,4-6,11H2,1-3H3
InChIKey
LXTZRIBXKVRLOA-UHFFFAOYSA-N
Canonic Smiles
CCCCCOC(=O)c1ccc(cc1)N(C)C
Isomeric Smiles
O=C(OCCCCC)c1ccc(N(C)C)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8521361
LogD (pH = 7.4)
3.8532205
Log P
3.8532343
Molar Refractivity
70.9865
Polarizability
26.935041
Polar Surface Area
29.54
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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