Molecule

ID:64013

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₂
Molecular Mass
233.30616
Exact Mass
233.14157885
Charge
0
InChI
InChI=1S/C14H19NO2/c1-17-14(16)13-8-5-9-15(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKey
UWMYSVPWAUCMJY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCCN(C1)Cc1ccccc1
Isomeric Smiles
N1(Cc2ccccc2)CCCC(C(=O)OC)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.8174104
LogD (pH = 7.4)
0.8465862
Log P
2.2895548
Molar Refractivity
67.5977
Polarizability
26.621668
Polar Surface Area
29.54
Rotatable Bonds
4
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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